SCHEMBL8623675

SCHEMBL8623675

CCCC#Cc1ccc(C#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
PYCR1 P32322 1/20 0.40
ACACB O00763 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL9158372 0.98 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4623168 0.86 FFAR1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6937078 0.82 FFAR1 (0.55) PYCR1FFAR1FFAR4KCNH2MMP2
SCHEMBL1897376 0.82 FFAR1 (0.55) PYCR1FFAR1FFAR4KCNH2MMP2
SCHEMBL4621099 0.80 PYCR1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL797749 0.80 FFAR1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9335892 0.79 CYP2A6 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15588318 0.78 FFAR1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28377872 0.78 KCNH2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9335379 0.78 FFAR1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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