SCHEMBL9440287

SCHEMBL9440287

CCCC(F)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
PLA2G4B P0C869 8/20 0.59
RARB P10826 5/20 0.56
PKM P14618 1/20 0.54
PLA2G4A P47712 1/20 0.54
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL9440295 0.91 TP53 (0.66) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL9440150 0.90 TP53 (0.68) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL9440016 0.89 MAPK1 (0.67) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL9440194 0.89 TP53 (0.71) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL9440316 0.89 TP53 (0.71) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL9440289 0.89 TP53 (0.71) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL2258671 0.81 MAPK1 (0.63) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL8704046 0.80 LTA4H (0.52) MAPK1HTT
SCHEMBL736876 0.80 TP53 (0.89) MAPK1TSHRTP53PLA2G4BRARB
SCHEMBL175191 0.80 TP53 (0.77) MAPK1TSHRTP53PLA2G4BRARB

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-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