SCHEMBL9647259

SCHEMBL9647259

CCCCCCCCCCCCCCCCOc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.85
TSHR P16473 1/20 0.85
PLA2G4B P0C869 8/20 0.82
RARB P10826 4/20 0.78
PLA2G4A P47712 1/20 0.74
HTT P42858 1/20 0.64
PLA2G2A P14555 1/20 0.60
PTPN11 Q06124 1/20 0.60

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
SCHEMBL6539348 0.98 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL7470745 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1469965 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10778285 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10777726 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1322922 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1163918 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL3625733 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503352 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL371494 0.92 TP53 (1.00) TP53TSHRPLA2G4BRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5139696-A Hydrogen-bonded liquid crystal complexes CORNELL RESEARCH FOUNDATION, INC. (US) 1992-08-18 US disclosed
US-5037574-A Hydrogen-bonded liquid crystal complexes CORNELL RESEARCH FOUNDATION, INC. (US) 1991-08-06 US disclosed