SCHEMBL8621670

SCHEMBL8621670

CCCCC/C=C/c1ccc(C#Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FBP1 P09467 1/20 0.38
CYP2A6 P11509 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
MGLL Q99685 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HDAC2 Q92769 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8621675 1.00 TNNC1 (0.43) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL9827727 0.95 TSHR (0.46) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL9827722 0.95 TSHR (0.46) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL9827715 0.95 TSHR (0.46) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL24352161 0.94 TSHR (0.49) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL15688808 0.94 TSHR (0.49) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL2007392 0.94 TSHR (0.49) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL15688832 0.94 TSHR (0.49) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL2007389 0.94 TSHR (0.49) TNNC1TSHRHSD17B10FBP1CYP2A6
SCHEMBL15688739 0.90 TSHR (0.44) TNNC1TSHRHSD17B10FBP1CYP2A6

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