SCHEMBL9499494

SCHEMBL9499494

CCCc1ccc(-c2ccc(C#C[C@H]3CC[C@H](CC)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
FFAR4 Q5NUL3 2/20 0.45
ACACB O00763 5/20 0.42
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
MCL1 Q07820 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM1A O60341 1/20 0.31
FFAR2 O15552 1/20 0.31

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
SCHEMBL9499503 1.00 FFAR1 (0.50) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL8775279 0.94 FFAR1 (0.52) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9495021 0.92 FFAR1 (0.48) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL9495028 0.92 FFAR1 (0.48) FFAR1FFAR4ACACBTSHRHSD17B10
SCHEMBL9497026 0.91 FFAR1 (0.50) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9497038 0.91 FFAR1 (0.50) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9497050 0.91 FFAR1 (0.50) FFAR1FFAR4ACACBMAOAMAOB
SCHEMBL9494848 0.91 HSD17B10 (0.50) FFAR1FFAR4TSHRHSD17B10HRH3
SCHEMBL9494844 0.91 HSD17B10 (0.50) FFAR1FFAR4TSHRHSD17B10HRH3
SCHEMBL9497001 0.90 FFAR1 (0.49) FFAR1FFAR4ACACBTSHRHSD17B10

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-0306505-B1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1993-03-24 EP disclosed
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed