SCHEMBL9508905

SCHEMBL9508905

CCCc1ccc(C#Cc2ccc(OC)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
ACACB O00763 7/20 0.37
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
AAK1 Q2M2I8 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL7857744 1.00 FFAR1 (0.44) FFAR1ACACBALOX5GABRA1GABRB2
SCHEMBL9511390 0.97 FFAR1 (0.42) FFAR1ACACBALOX5GABRA1GABRB2
SCHEMBL9509124 0.92 FFAR1 (0.42) FFAR1ACACB
SCHEMBL9510153 0.91 HSD17B10 (0.43) FFAR1
SCHEMBL9510224 0.89 TSHR (0.43) FFAR1ACACBAAK1CNR2
SCHEMBL9508776 0.89 HSD17B10 (0.46) FFAR1
SCHEMBL9512554 0.89 HSD17B10 (0.46) FFAR1
SCHEMBL7910413 0.89 ACACB (0.40) FFAR1ACACB
SCHEMBL9510152 0.88 FFAR1 (0.40) FFAR1ACACBAAK1
SCHEMBL9510127 0.88 TSHR (0.48) FFAR1

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