SCHEMBL14535576

SCHEMBL14535576

CCCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
S1PR3 Q99500 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
TOP2A P11388 2/20 0.46
POLM Q9NP87 1/20 0.42
POLK Q9UBT6 1/20 0.42
POLL Q9UGP5 1/20 0.42
POLH Q9Y253 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PTGS2 P35354 4/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LTA4H P09960 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7185277 0.84 S1PR3 (0.52) ALOX15S1PR3TOP2APOLMPOLK
SCHEMBL950682 0.84 S1PR3 (0.52) ALOX15S1PR3TOP2APOLMPOLK
SCHEMBL9787581 0.82 TSHR (0.53) S1PR3MAPK1RAB9AKMT2A
SCHEMBL15548642 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL15548540 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL15547553 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL27546358 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL15547873 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL12863966 0.80 KDM4E (0.59) ALOX15TRPV1TOP2APOLMPOLK
SCHEMBL9225477 0.79 ALOX15 (0.51) ALOX15TRPV1TOP2APOLMPOLK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018279-A1 DISHWASHING COMPOSITIONS CONTAINING AN ESTERIFIED SUBSTITUTED BENZENE SULFONATE THE PROCTER & GAMBLE COMPANY 2014-01-16 US disclosed
WO-2014011849-A1 DISHWASHING COMPOSITIONS CONTAINING AN ESTERIFIED SUBSTITUTED BENZENE SULFONATE THE PROCTER & GAMBLE COMPANY (US) 2014-01-16 WO disclosed
US-20070105742-A1 Composition containing an esterified substituted benzene sulfonate PROCTER & GAMBLE COMPANY, THE 2007-05-10 US disclosed
WO-2007049250-A1 COMPOSITION CONTAINING AN ESTERIFIED SUBSTITUTED BENZENE SULFONATE THE PROCTER & GAMBLE COMPANY (US) 2007-05-03 WO disclosed