SCHEMBL8621987

SCHEMBL8621987

CCCCCCCC=Cc1ccc(C#Cc2cnc(OCCCCCCCCCC)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.44
▸ TNNC1 P63316 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOS1 P29475 1/20 0.35
▸ AHR P35869 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
SCHEMBL8621983 1.00 ACACB (0.44) ACACBTNNC1KDM4EALDH1A1HPGD
SCHEMBL8619095 0.86 ACACB (0.42) ACACBTNNC1KDM4EALDH1A1HPGD
SCHEMBL8619091 0.86 ACACB (0.42) ACACBTNNC1KDM4EALDH1A1HPGD
SCHEMBL8619126 0.85 AHR (0.48) TNNC1KDM4EALDH1A1HPGDHTT
SCHEMBL8619129 0.85 AHR (0.48) TNNC1KDM4EALDH1A1HPGDHTT
SCHEMBL8618082 0.82 ACACB (0.46) ACACBAHR
SCHEMBL8618078 0.82 ACACB (0.46) ACACBAHR
SCHEMBL8620826 0.80 HPGD (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8620830 0.80 HPGD (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL13464287 0.78 NR5A1 (0.54) TNNC1AHR

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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