SCHEMBL8618441

SCHEMBL8618441

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.49
▸ CNR1 P21554 6/20 0.45
▸ CNR2 P34972 4/20 0.45
▸ APP P05067 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TNNC1 P63316 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL8618447 1.00 AHR (0.49) AHRCNR1CNR2APPLMNA
SCHEMBL6434839 0.91 AHR (0.53) AHRCNR1CNR2LMNATP53
SCHEMBL6435102 0.91 AHR (0.53) AHRCNR1CNR2LMNATP53
SCHEMBL6434844 0.91 AHR (0.53) AHRCNR1CNR2LMNATP53
SCHEMBL17682006 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL2005561 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL19452377 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL2005564 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL15688436 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53
SCHEMBL19667752 0.89 CNR1 (0.54) AHRCNR1CNR2LMNATP53

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
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