SCHEMBL9152265

SCHEMBL9152265

CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
RECQL P46063 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
DNM1 Q05193 5/20 0.44
FAAH O00519 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
ENPP2 Q13822 1/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL10908898 0.94 DNM1 (0.49) HTTRECQLGLAHPGDTSHR
SCHEMBL3300784 0.94 DNM1 (0.49) HTTRECQLGLAHPGDTSHR
SCHEMBL3300788 0.94 DNM1 (0.49) HTTRECQLGLAHPGDTSHR
SCHEMBL10908893 0.94 DNM1 (0.49) HTTRECQLGLAHPGDTSHR
SCHEMBL4585899 0.91 HTT (0.56) HTTRECQLGLAHPGDTSHR
SCHEMBL3147374 0.88 HTT (0.48) HTTDNM1FAAHTRPV1ENPP2
SCHEMBL3147360 0.88 HTT (0.48) HTTDNM1FAAHTRPV1ENPP2
SCHEMBL10768788 0.87 RECQL (0.44) RECQLGLAHPGDTSHRMAPK1
Sulfuric Acid SCHEMBL2979764 0.85 DNM1 (0.57) HTTDNM1FAAHTRPV1ENPP2
Mecetronium SCHEMBL11855665 0.84 DNM1 (0.55) HTTRECQLGLAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397245-B1 Perfume particles for use in cleaning and conditioning compositions PROCTER & GAMBLE (US) 1995-02-08 EP disclosed
US-4973422-A DETERGENTS, WATER INSOLUBLE POLYMERIC CARRIER THE PROCTER & GAMBLE COMPANY (US) 1990-11-27 US disclosed
EP-0397245-A2 Perfume particles for use in cleaning and conditioning compositions THE PROCTER & GAMBLE COMPANY (US) 1990-11-14 EP disclosed
EP-0052517-B1 CONCENTRATED FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-04-24 EP disclosed
US-4439335-A QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1984-03-27 US disclosed
US-4424134-A CATIONIC SOFTENER, AMINE, 3-ISOTHIAZOLONE MICROBIOCIDE THE PROCTER & GAMBLE COMPANY (US) 1984-01-03 US disclosed
US-4399045-A Concentrated fabric softening compositions THE PROCTER & GAMBLE COMPANY (US) 1983-08-16 US disclosed
EP-0079643-A2 Concentrated fabric softening compositions THE PROCTER & GAMBLE COMPANY (US) 1983-05-25 EP disclosed
EP-0052517-A1 Concentrated fabric softening compositions THE PROCTER & GAMBLE COMPANY (US) 1982-05-26 EP disclosed