SCHEMBL9497439

SCHEMBL9497439

CCCCc1ccc(C#CC2CCC([C@H]3CC[C@H](C)CC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
FFAR4 Q5NUL3 3/20 0.44
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SPHK1 Q9NYA1 3/20 0.34
ACACB O00763 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL9497454 1.00 FFAR1 (0.49) FFAR1FFAR4HSD17B10TSHRSIGMAR1
SCHEMBL9497461 1.00 FFAR1 (0.49) FFAR1FFAR4HSD17B10TSHRSIGMAR1
SCHEMBL9497770 0.96 FFAR1 (0.48) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9497787 0.96 FFAR1 (0.48) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9497780 0.96 FFAR1 (0.48) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9496953 0.95 FFAR1 (0.47) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9496944 0.95 FFAR1 (0.47) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9496960 0.95 FFAR1 (0.47) FFAR1FFAR4HSD17B10TSHRALDH1A1
SCHEMBL9497490 0.92 FFAR1 (0.49) FFAR1FFAR4HSD17B10TSHRSIGMAR1
SCHEMBL9497502 0.92 FFAR1 (0.49) FFAR1FFAR4HSD17B10TSHRSIGMAR1

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 4 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
EP-0306505-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 EP disclosed
WO-1988007523-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed