SCHEMBL7734675

SCHEMBL7734675

CCCCCCCCCCCCCCOc1ccc(N=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
TSHR P16473 1/20 0.70
PLA2G4B P0C869 8/20 0.68
RARB P10826 4/20 0.65
PLA2G4A P47712 2/20 0.62
CA2 P00918 3/20 0.55
HTT P42858 1/20 0.54
CA1 P00915 2/20 0.54

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
SCHEMBL12417141 1.00 TP53 (0.70) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417140 1.00 TP53 (0.70) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417139 1.00 TP53 (0.70) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417146 0.99 TP53 (0.68) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417145 0.96 TP53 (0.62) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417148 0.96 TP53 (0.62) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12754102 0.91 CA2 (0.58) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12417142 0.91 CA2 (0.58) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL12416675 0.88 GAA (0.57) TP53TSHR
SCHEMBL2514284 0.88 GAA (0.57) TP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002034861-A2 ELECTRO-OPTICAL DEVICES FROM BANANA-SHAPED LIQUID CRYSTALS KENT STATE UNIVERSITY (US) 2002-05-02 WO disclosed