SCHEMBL9511319

SCHEMBL9511319

CCCc1ccc(C#Cc2ccc(CCc3ccc(CCC)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.53
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
FFAR1 O14842 6/20 0.46
FFAR4 Q5NUL3 2/20 0.44
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL9328434 0.97 ACACB (0.54) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL8141107 0.97 ACACB (0.54) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL9509260 0.93 CYP2A6 (0.50) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL9511291 0.93 CYP2A6 (0.50) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL9508953 0.91 HSD17B10 (0.49) ACACBFFAR1FFAR4CA2TSHR
SCHEMBL9511358 0.91 HSD17B10 (0.49) ACACBFFAR1FFAR4CA2TSHR
SCHEMBL9512262 0.91 FFAR1 (0.58) ACACBLPLLIPGFFAR1CA2
SCHEMBL9328206 0.91 CYP2A6 (0.52) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL9509391 0.89 HSD17B10 (0.56) ACACBLPLLIPGFFAR1FFAR4
SCHEMBL9512287 0.89 HSD17B10 (0.56) ACACBLPLLIPGFFAR1FFAR4

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed