SCHEMBL8620826

SCHEMBL8620826

CCCCCCC/C=C/c1cnc(C#Cc2ccc(OCCCCCCCC)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ NR5A1 Q13285 1/20 0.42
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LTA4H P09960 3/20 0.38
▸ PLA2G4B P0C869 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ AHR P35869 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL8620830 1.00 HPGD (0.43) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL8619126 0.88 AHR (0.48) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL8619129 0.88 AHR (0.48) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9496057 0.84 KDM4E (0.55) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9495038 0.84 KDM4E (0.55) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9495779 0.84 KDM4E (0.55) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9498090 0.82 KDM4E (0.52) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL13464287 0.81 NR5A1 (0.54) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9500326 0.80 NPC1 (0.56) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL8621983 0.80 ACACB (0.44) HPGDKDM4EALDH1A1HTTL3MBTL1

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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