SCHEMBL10524481

SCHEMBL10524481

CCCCC[C@H]1CC[C@H](C#Cc2ccc(OC(F)(F)C(F)F)cc2)CC1.CCCC[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
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
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10524478 1.00 FFAR1 (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713151 0.99 FFAR1 (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713144 0.99 FFAR1 (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713200 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713212 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713590 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713583 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713187 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713218 0.98 GAA (0.32) FFAR1ACACBHAO1ITGB3ITGA2B
SCHEMBL9713051 0.98 FFAR1 (0.33) FFAR1ACACBHAO1

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-0306521-A1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 EP disclosed
WO-1988007516-A1 ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed