SCHEMBL5209866

SCHEMBL5209866

CCCCCCCCCCCCCCCC#Cc1csc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
GPR84 Q9NQS5 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
Methane SCHEMBL7680666 0.81 GPR84 (0.43) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL7680659 0.80 KCNH2 (0.42) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL7678590 0.78 FFAR1 (0.41) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL10669115 0.78 FFAR1 (0.41) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL29084193 0.75 KCNH2 (0.46) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2493079 0.74 FFAR1 (0.40) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL5886652 0.74 FFAR1 (0.63) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL7683336 0.72 FFAR1 (0.39) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL5886550 0.72 KCNH2 (0.59) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL2582382 0.71 KCNH2 (0.46) KCNH2FFAR1FFAR4MMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed