SCHEMBL9202013

SCHEMBL9202013

CCCCCCCCCCOc1ccc2cc(C(=O)NN(C(=O)c3ccccc3)C(CCC)CCCCCC)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
SMPD1 P17405 3/20 0.47
NR1H4 Q96RI1 3/20 0.43
PLK1 P53350 1/20 0.42
PLA2G4B P0C869 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 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
SCHEMBL9202002 0.81 THRA (0.49) THRASMPD1NR1H4PLA2G4BTP53
SCHEMBL9212019 0.80 ELANE (0.40)
SCHEMBL165545 0.78 L3MBTL1 (0.48) PLK1
SCHEMBL10840947 0.73 SMPD1 (0.73) THRASMPD1TP53TSHR
SCHEMBL10839296 0.73 SMPD1 (0.73) THRASMPD1TP53TSHR
SCHEMBL10840940 0.73 SMPD1 (0.73) THRASMPD1TP53TSHR
SCHEMBL10839811 0.73 SMPD1 (0.73) THRASMPD1TP53TSHR
SCHEMBL7271669 0.73 TP53 (0.77) THRAPLA2G4BTP53TSHR
SCHEMBL5388136 0.73 TP53 (0.77) THRAPLA2G4BTP53TSHR
SCHEMBL5383674 0.73 TP53 (0.77) THRAPLA2G4BTP53TSHR

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