SCHEMBL8623754

SCHEMBL8623754

CCC/C=C/c1ccc(C#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.36
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
ACACB O00763 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR183 P32249 2/20 0.33

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
SCHEMBL8623756 1.00 CHRNA7 (0.38) CHRNA7FFAR1ALDH1A1CYP2C19KDM4E
SCHEMBL8622912 0.91 FFAR1 (0.43) FFAR1
SCHEMBL8622908 0.91 FFAR1 (0.43) FFAR1
SCHEMBL7122640 0.89 CYP2C19 (0.44) CHRNA7ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL7122638 0.89 CYP2C19 (0.44) CHRNA7ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL9048231 0.84 FFAR1 (0.37) FFAR1
SCHEMBL9048225 0.84 FFAR1 (0.37) FFAR1
SCHEMBL8620912 0.83 NFE2L2 (0.41) FFAR1MAOB
SCHEMBL8620908 0.83 NFE2L2 (0.41) FFAR1MAOB
SCHEMBL8623117 0.83 CYP2A6 (0.41) FFAR1ALDH1A1KDM4ELMNASMN1; SMN2

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