SCHEMBL8528527

SCHEMBL8528527

CCCCCc1ccc(/C=C/C#C/C=C/c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
THRB P10828 2/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AHR P35869 1/20 0.46
CALM1 P0DP23 1/20 0.45
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL8528529 1.00 CASP3 (0.48) CASP3SENP8SENP7SENP6THRB
SCHEMBL8530652 0.99 CASP3 (0.47) CASP3SENP8SENP7SENP6THRB
SCHEMBL8530653 0.99 CASP3 (0.47) CASP3SENP8SENP7SENP6THRB
SCHEMBL8530864 0.95 LMNA (0.47) CASP3SENP8SENP7SENP6THRB
SCHEMBL8530861 0.95 LMNA (0.47) CASP3SENP8SENP7SENP6THRB
SCHEMBL8531433 0.89 CYP3A4 (0.50) THRBLMNAALDH1A1TP53CYP3A4
SCHEMBL8531435 0.89 CYP3A4 (0.50) THRBLMNAALDH1A1TP53CYP3A4
SCHEMBL8528499 0.89 ESR1 (0.48) THRBLMNAALDH1A1TP53CYP3A4
SCHEMBL8528502 0.89 ESR1 (0.48) THRBLMNAALDH1A1TP53CYP3A4
SCHEMBL8528871 0.88 ALDH1A1 (0.52) THRBLMNAALDH1A1CYP3A4AHR

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