SCHEMBL8774994

SCHEMBL8774994

CCCc1ccc(-c2ccc(C#Cc3cc(F)c(F)nc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.42
ACACB O00763 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
RARB P10826 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MCL1 Q07820 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 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
SCHEMBL8774295 0.96 FFAR1 (0.44) FFAR1ACACBFFAR4
SCHEMBL8774912 0.92 TSHR (0.43) FFAR1HSD17B10NPC1RAB9ATP53
SCHEMBL8774909 0.91 HSD17B10 (0.48) FFAR1HSD17B10RAB9ASMN1; SMN2TSHR
SCHEMBL8774750 0.89 FFAR1 (0.38) FFAR1ACACBNPC1RAB9ASMN1; SMN2
SCHEMBL8774821 0.88 FFAR1 (0.43) FFAR1HSD17B10NPC1RAB9ATP53
SCHEMBL8774374 0.86 FFAR1 (0.42) FFAR1HSD17B10TP53TSHRRARB
SCHEMBL8774302 0.85 HSD17B10 (0.43) FFAR1HSD17B10TP53TSHRRARB
SCHEMBL8774297 0.84 FFAR1 (0.40) FFAR1ACACBTP53FFAR4
SCHEMBL8774969 0.84 FFAR1 (0.42) FFAR1ACACBHSD17B10NPC1RAB9A
SCHEMBL9158563 0.82 FFAR1 (0.38) FFAR1ACACBHSD17B10NPC1RAB9A

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed