SCHEMBL9855167

SCHEMBL9855167

CCCCc1ccc(C#Cc2ccc(Cl)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
MCHR1 Q99705 2/20 0.39
FFAR1 O14842 7/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.36
HSD11B1 P28845 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL9855441 0.96 HSD17B10 (0.43) ACACBMCHR1FFAR1HSD17B10TSHR
SCHEMBL9855410 0.94 HSD17B10 (0.46) ACACBMCHR1FFAR1HSD17B10TSHR
SCHEMBL9855079 0.91 FFAR1 (0.40) ACACBMCHR1FFAR1ALDH1A1GRM5
SCHEMBL9855956 0.91 ACACB (0.45) ACACBMCHR1FFAR1HSD17B10TSHR
SCHEMBL9855313 0.86 HSD17B10 (0.50) ACACBFFAR1HSD17B10TSHRHSD11B1
SCHEMBL10517953 0.86 NPC1 (0.38) ACACBFFAR1HSD17B10TSHRHSD11B1
SCHEMBL9855817 0.84 HSD17B10 (0.53) ACACBFFAR1HSD17B10TSHRHSD11B1
SCHEMBL9855636 0.84 CYP2A6 (0.40) ACACBMCHR1FFAR1GRM5
SCHEMBL9854976 0.84 ACACB (0.41) ACACBMCHR1FFAR1HSD17B10TSHR
SCHEMBL9855061 0.84 ACACB (0.41) ACACBMCHR1FFAR1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed