SCHEMBL8620757

SCHEMBL8620757

CCCC=Cc1ccc(C#Cc2ccc(C#N)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.35
CYP11B1 P15538 7/20 0.34
CYP11B2 P19099 7/20 0.34
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 4/20 0.34
TSPO P30536 1/20 0.34
DRD3 P35462 1/20 0.34
HAO1 Q9UJM8 2/20 0.31
GRM5 P41594 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
SCHEMBL8620753 1.00 TRPV4 (0.35) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL8616906 0.92 TRPV4 (0.36) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL8616904 0.92 TRPV4 (0.36) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL8621546 0.92 TNNC1 (0.33) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL8621544 0.92 TNNC1 (0.33) TRPV4CYP11B1CYP11B2FFAR1FFAR4
SCHEMBL8618031 0.91 HAO1 (0.38) FFAR1FFAR4HAO1GRM5
SCHEMBL8618028 0.91 HAO1 (0.38) FFAR1FFAR4HAO1GRM5
SCHEMBL8621577 0.90 NFE2L2 (0.39) FFAR1FFAR4TSPODRD3GRM5
SCHEMBL8621573 0.90 NFE2L2 (0.39) FFAR1FFAR4TSPODRD3GRM5
SCHEMBL8618584 0.86 GRM5 (0.35) FFAR1FFAR4GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed