SCHEMBL6558322

SCHEMBL6558322

CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CCC[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

nearest known ligand 0.47

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 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
DNM1 Q05193 10/20 0.43
HTT P42858 1/20 0.43
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41
LMNA P02545 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 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
SCHEMBL3147360 0.94 HTT (0.48) ENPP2DNM1HTTLMNAFAAH
SCHEMBL10908132 0.94 ENPP2 (0.51) ENPP2DNM1APAF1HSP90AA1RAD52
SCHEMBL3147374 0.94 HTT (0.48) ENPP2DNM1HTTLMNAFAAH
SCHEMBL10908129 0.94 ENPP2 (0.51) ENPP2DNM1APAF1HSP90AA1RAD52
SCHEMBL11874044 0.91 HTT (0.44) ENPP2DNM1HTTLMNAFAAH
SCHEMBL6557962 0.91 DNM1 (0.52) DNM1HTTAPAF1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL7154617 0.88 DNM1 (0.55) ENPP2DNM1HTTAPAF1HSP90AA1
Cetrimonium SCHEMBL9422136 0.88 DNM1 (0.55) DNM1HTTAPAF1HSP90AA1RAD52
Sulfuric Acid SCHEMBL28153883 0.85 ENPP2 (0.56) ENPP2DNM1APAF1HSP90AA1RAD52
SCHEMBL25414052 0.84 DNM1 (0.60) ENPP2DNM1HTTAPAF1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850934-B1 Triazinylaminostilbene ultra-violet absorbing agents CIBA SC HOLDING AG (CH) 2004-03-10 EP claimed
US-6398982-B1 FABRIC RINSE FORMULATION INCLUDING HYDROXYARYL 1,3,5-TRIAZINE OR SULFONATED BENZOTRIAZOLE UV ABSORBER; INCREASING SUN PROTECTION FACTOR OF CLOTHING CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US claimed
EP-0850934-A1 Triazinylaminostilbene ultra-violet absorbing agents Ciba SC Holding AG (CH) 1998-07-01 EP claimed
EP-0850934-B1 Triazinylaminostilbene ultra-violet absorbing agents CIBA SC HOLDING AG (CH) 2004-03-10 EP disclosed
US-6398982-B1 FABRIC RINSE FORMULATION INCLUDING HYDROXYARYL 1,3,5-TRIAZINE OR SULFONATED BENZOTRIAZOLE UV ABSORBER; INCREASING SUN PROTECTION FACTOR OF CLOTHING CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
EP-0850934-A1 Triazinylaminostilbene ultra-violet absorbing agents Ciba SC Holding AG (CH) 1998-07-01 EP disclosed
US-5688758-A CATIONIC, AMPHOTERIC, OR ANIONIC SURFACTANTS, FLUORESCENT WHITENING DYES AND FABRIC CARE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-18 US disclosed