SCHEMBL8530864

SCHEMBL8530864

CCCCc1ccc(C=CC#CC=Cc2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AHR P35869 1/20 0.47
CALM1 P0DP23 1/20 0.46
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL8530861 1.00 LMNA (0.47) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8528529 0.95 CASP3 (0.48) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8528527 0.95 CASP3 (0.48) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8530653 0.94 CASP3 (0.47) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8530652 0.94 CASP3 (0.47) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8531435 0.91 CYP3A4 (0.50) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8531433 0.91 CYP3A4 (0.50) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL13996325 0.89 AHR (0.57) LMNAALDH1A1TP53CYP3A4TSHR
SCHEMBL8528493 0.89 SPHK1 (0.47) LMNAALDH1A1TP53CYP3A4KDM4E
SCHEMBL8528495 0.89 SPHK1 (0.47) LMNAALDH1A1TP53CYP3A4KDM4E

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