SCHEMBL9440171

SCHEMBL9440171

CCCCCC(Cl)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
PLA2G4B P0C869 8/20 0.67
RARB P10826 5/20 0.63
PLA2G4A P47712 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.52
PKM P14618 1/20 0.50

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
SCHEMBL10341782 0.99 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL29201126 0.87 PLA2G4B (0.63) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL503727 0.83 TP53 (0.96) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL736876 0.83 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL11445003 0.83 TP53 (0.68) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9440150 0.83 TP53 (0.68) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10798086 0.83 TP53 (0.89) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL509130 0.83 TP53 (0.72) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9440194 0.82 TP53 (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9440316 0.82 TP53 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1106371-C Liquid crystal compounds having perfluoroether terminal moieties MINNESOTA MINING & MFG (US) 2003-04-23 CN disclosed
CN-1166823-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING & MFG (US) 1997-12-03 CN disclosed
EP-0341686-B1 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORP (JP) 1994-08-17 EP disclosed
US-5098602-A Aromatic ester derivatives and fluorophenol ketones NIPPON MINING CO., LTD. (JP) 1992-03-24 US disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 EP disclosed