SCHEMBL9202002

SCHEMBL9202002

CCCCCCCCCCOc1ccc2cc(C(=O)N(NC(CCC)CCCCCC)C(=O)c3ccccc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 2/20 0.43
SMPD1 P17405 3/20 0.43
NR1H4 Q96RI1 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
SCHEMBL9202013 0.81 THRA (0.48) THRATP53TSHRPLA2G4BSMPD1
SCHEMBL9212008 0.79 ELANE (0.41)
SCHEMBL7283625 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL5383674 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL7278960 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL9779326 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL7271669 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL5388136 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL14672324 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B
SCHEMBL7281514 0.74 TP53 (0.77) THRATP53TSHRPLA2G4B

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-0415256-B1 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KK (JP) 1995-11-02 EP disclosed
US-5091109-A Ferroelectric; improved responsiveness CANON KABUSHIKI KAISHA (JP) 1992-02-25 US disclosed
EP-0415256-A2 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed