SCHEMBL9713187

SCHEMBL9713187

CCCCCCC[C@H]1CC[C@H](C#Cc2ccc(OC(F)(F)C(F)F)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 1/20 0.32
ACACB O00763 3/20 0.31
HAO1 Q9UJM8 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL9713590 1.00 GAA (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713212 1.00 GAA (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713200 1.00 GAA (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713218 1.00 GAA (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713583 1.00 GAA (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713151 0.99 FFAR1 (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713144 0.99 FFAR1 (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL10524481 0.98 FFAR1 (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL10524478 0.98 FFAR1 (0.32) GAAMAPTFFAR1ACACBHAO1
SCHEMBL9713004 0.97 GAA (0.31) GAAMAPTFFAR1ACACB

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
US-5164114-A LIQUID CRYSTAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed
EP-0306521-B1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1991-10-16 EP disclosed