SCHEMBL10669115

SCHEMBL10669115

CCCCCCC#Cc1csc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
KCNH2 Q12809 1/20 0.38
PRKCA P17252 2/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33

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
SCHEMBL7678590 1.00 FFAR1 (0.41) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL10671140 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL10671133 0.81 FFAR1 (0.44) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL5209866 0.78 KCNH2 (0.41) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL6310346 0.76 GRM5 (0.40) FFAR1FFAR4
Methane SCHEMBL7680666 0.76 GPR84 (0.43) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL7680659 0.75 KCNH2 (0.42) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL3740319 0.74 GRM5 (0.36) MMP2MMP12
SCHEMBL7685513 0.73 GPR84 (0.39) FFAR1FFAR4MMP2MMP12GPR84
SCHEMBL7686725 0.73 CYP2A6 (0.47) FFAR1FFAR4MMP2MMP12GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4732901-A BRONCHODILATORS BEECHAM GROUP P.L.C. (GB) 1988-03-22 US disclosed
EP-0194093-A2 Substituted heterocyclic acrylic acids and esters, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1986-09-10 EP disclosed