SCHEMBL6559161

SCHEMBL6559161

CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(CCCCCCCCCCCCCCCCCC)N1C=NCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 5/20 0.42
TRPV1 Q8NER1 3/20 0.42
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41

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
SCHEMBL11473176 0.94 ALDH1A1 (0.40) HRH3MEN1KMT2ACNR1TRPV1
SCHEMBL28899324 0.88 HRH3 (0.50) HRH3MEN1KMT2ACNR1TRPV1
SCHEMBL5831968 0.79 FAAH (0.48) ALDH1A1HPGDMAPTBLMTDP1
SCHEMBL8076358 0.78 ALDH1A1 (0.34) ALDH1A1HPGDTDP1SOAT1
SCHEMBL28469878 0.76 CNR1 (0.51) HRH3MEN1KMT2ACNR1TRPV1
SCHEMBL93403 0.73 GGPS1 (0.37) ALDH1A1HPGDTDP1SOAT1
SCHEMBL5611791 0.73 FAAH (0.48) MEN1KMT2ACNR2ALDH1A1BLM
SCHEMBL26980870 0.73 CNR1 (0.55) MEN1KMT2ACNR1TRPV1ALDH1A1
SCHEMBL28424522 0.73 FAAH (0.48) MEN1KMT2ACNR2ALDH1A1BLM
SCHEMBL16307 0.72 ALDH1A1 (0.48) KMT2AALDH1A1HPGDMAPTBLM

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-0850934-B1 Triazinylaminostilbene ultra-violet absorbing agents CIBA SC HOLDING AG (CH) 2004-03-10 EP claimed
EP-0659877-B1 Composition for the treatment of textiles CIBA SC HOLDING AG (CH) 2003-06-04 EP claimed
US-5368755-A Free-flowing powder fabric softening composition and process for the manufacture of a free-flowing fabric softening composition COLGATE-PALMOLIVE CO. (US) 1994-11-29 US disclosed
US-5259964-A Free-flowing powder fabric softening composition and process for its manufacture COLGATE-PALMOLIVE CO. (US) 1993-11-09 US disclosed
EP-0547723-A1 Free-flowing powder fabric softening composition and process for its manufacture Colgate-Palmolive Company (US) 1993-06-23 EP disclosed
EP-0547722-A1 Free-flowing powder fabric softening composition and process for its manufacture Colgate-Palmolive Company (US) 1993-06-23 EP disclosed
US-5051196-A Fabric softener of a quaternary ammonium salts and crosslinked polysiloxanes COLGATE-PALMOLIVE CO. (US) 1991-09-24 US disclosed
EP-0354856-A2 New softening compositions and methods for making and using same Colgate-Palmolive Company (US) 1990-02-14 EP disclosed
US-4442013-A STABLE VISCOSITY AT LOW AND HIGH TEMPERATURES COLGATE-PALMOLIVE COMPANY (US) 1984-04-10 US disclosed