SCHEMBL8527280

SCHEMBL8527280

CCCCCOc1ccc(C=CC#CC=Cc2ccc(CCCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
AHR P35869 1/20 0.48
NR5A1 Q13285 1/20 0.44
THRB P10828 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
LTA4H P09960 2/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL8526871 0.97 AHR (0.50) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8526872 0.97 AHR (0.50) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8528873 0.96 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8528871 0.96 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8531564 0.94 AHR (0.48) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8531566 0.94 AHR (0.48) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8527622 0.93 LMNA (0.50) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8527625 0.93 LMNA (0.50) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8531688 0.92 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MEN1USP2
SCHEMBL8531685 0.92 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MEN1USP2

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-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
US-5635108-A A HEXYNEDIENE DERIVATIVE CHISSO CORPORATION (JP) 1997-06-03 US disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed