SCHEMBL3137380

SCHEMBL3137380

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(O)CN.COS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
SPHK1 Q9NYA1 2/20 0.41
CYP2D6 P10635 2/20 0.39
HTT P42858 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
UBE2N P61088 1/20 0.39
CA2 P00918 1/20 0.38
GPR84 Q9NQS5 5/20 0.37
FFAR1 O14842 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20477609 0.84 SPHK1 (0.54) TP53SPHK1CYP2D6HTTGMNN
SCHEMBL10590561 0.83 TP53 (0.50) TP53SPHK1CYP2D6HTTGMNN
SCHEMBL28557843 0.81 TP53 (0.47) TP53LMNACA2GPR84ZDHHC7
SCHEMBL4622892 0.81 TP53 (0.47) TP53LMNACA2GPR84ZDHHC7
SCHEMBL29202942 0.78 TP53 (0.55) TP53SPHK1ZDHHC7
SCHEMBL23004233 0.77 TP53 (0.50) TP53SPHK1ZDHHC7
SCHEMBL7598020 0.76 ALDH1A1 (0.46) TP53SPHK1CYP2D6HTTGMNN
Octane SCHEMBL10634241 0.76 EPHX1 (0.48) CA2
Dodecane SCHEMBL27985012 0.76 EPHX1 (0.48) CA2
SCHEMBL6902067 0.76 TP53 (0.75) TP53SPHK1CYP2D6HTTGMNN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704938-B2 Compositions for lipophilic fluid systems comprising a siloxane-based/non-ionic surfactant mixture THE PROCTER & GAMBLE COMPANY (US) 2010-04-27 US disclosed
US-20100081602-A1 Fabric treatment mixture of decamethylcyclopentasiloxane, a siloxane-based surfactant, a nonionic surfactant, propylene glycol; improved cleaning of water sensitive fabrics DEAK JOHN CHRISTOPHER 2010-04-01 US disclosed
US-7323014-B2 Down the drain cleaning system THE PROCTER & GAMBLE COMPANY (US) 2008-01-29 US disclosed
US-7244699-B2 Silicone polymers for lipophilic fluid systems THE PROCTER & GAMBLE COMPANY (US) 2007-07-17 US disclosed
US-20060247147-A1 Compositions for lipophilic fluid systems DEAK JOHN C 2006-11-02 US disclosed
US-7101835-B2 Compositions for lipophilic fluid systems comprising 1,2-hexanediol PROCTER & GAMBLE COMPANY (US) 2006-09-05 US disclosed
US-20060081809-A1 Down the drain cleaning system DEAK JOHN C 2006-04-20 US disclosed
EP-1639072-A1 SOLVENT TREATMENT OF FABRIC ARTICLES The Procter & Gamble Company (US) 2006-03-29 EP disclosed
US-7012053-B1 Fabric care composition and method comprising a fabric care polysaccharide and wrinkle control agent THE PROCTER & GAMBLE COMPANY (US) 2006-03-14 US disclosed
EP-1427803-B1 DOWN THE DRAIN DRY CLEANING SYSTEM PROCTER & GAMBLE (US) 2006-01-11 EP disclosed
EP-1123374-A1 FABRIC CARE COMPOSITION AND METHOD THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 EP disclosed
US-6107270-A DRYER-ACTIVATED SHEETS CONTAINING A DYE TRANSFER INHIBITOR AS A COLOR PROTECTING INGREDIENT AND A CHLORINE SCAVENGER ACTIVE IN THE NEXT WASH CYCLE, FOR CLOTHING, WEAR RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
EP-1017771-A1 DRYER-ADDED FABRIC SOFTENER COMPOSITION COMPRISING CHLORINE SCAVENGER TO PROVIDE COLOR AND OTHER FABRIC BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-07-12 EP disclosed
WO-2000024856-A1 FABRIC CARE COMPOSITION AND METHOD THE PROCTER & GAMBLE COMPANY (US) 2000-05-04 WO disclosed
WO-2000024851-A2 FABRIC CARE COMPOSITION AND METHOD THE PROCTER & GAMBLE COMPANY (US) 2000-05-04 WO disclosed
US-6046155-A FOR ADDING TO AUTOMATIC LAUNDRY DRIERS WITH FABRICS FOR FABRIC CARE APPEARANCE THE PROCTER & GAMBLE COMPANY (US) 2000-04-04 US disclosed
US-6046154-A FOR ADDING TO AUTOMATIC LAUNDRY DRIERS WITH FABRICS FOR FABRIC CARE APPEARANCE THE PROCTER & GAMBLE COMPANY (US) 2000-04-04 US disclosed
US-6025321-A SUBSTRATE WITH FABRIC SOFTENER COMPOSITION HAVING SPECIFIED PHYSICAL PROPERTIES, CHELANT COLOR CARE AGENT THE PROCTER & GAMBLE COMPANY (US) 2000-02-15 US disclosed
WO-1999015612-A1 DRYER-ADDED FABRIC SOFTENER COMPOSITION COMPRISING CHLORINE SCAVENGER TO PROVIDE COLOR AND OTHER FABRIC BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1999-04-01 WO disclosed
WO-1999015611-A1 DRYER-ADDED FABRIC SOFTENER COMPOSITION USAGE TO PROVIDE COLOR AND OTHER FABRIC APPEARANCE BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1999-04-01 WO disclosed