SCHEMBL8219005

SCHEMBL8219005

CCCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.83
ALDH1A1 P00352 3/20 0.66
LMNA P02545 1/20 0.66
PTPN11 Q06124 1/20 0.65
KDM4E B2RXH2 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
PDE4A P27815 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.63
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RARB P10826 3/20 0.58

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
SCHEMBL5098137 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL6755448 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL11662474 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL9162571 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL11002800 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL9619291 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL7391119 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL9522278 0.98 PLA2G4B (0.86) PLA2G4BALDH1A1LMNAPTPN11KDM4E
SCHEMBL1285778 0.96 PLA2G4B (0.77) PLA2G4BALDH1A1LMNAPTPN11KDM4E
Hydrochloric Acid SCHEMBL2530984 0.95 PLA2G4B (0.75) PLA2G4BALDH1A1LMNAPTPN11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55011512-A None JP disclosed
CN-107739316-A A kind of bromo tyrosine alkaloid compound and its production and use 中国医科大学 2018-02-27 CN disclosed
EP-0982621-B1 Film for optical elements NIPPON MITSUBISHI OIL CORP (JP) 2012-10-10 EP disclosed
EP-0982621-A2 Film for optical elements Nippon Mitsubishi Oil Corporation (JP) 2000-03-01 EP disclosed
JP-S5511512-A ALPHA-AZIDO(P-ACYLOCYPHENYL)ACETIC ACID AND ITS PREPARATION TOUBISHI YAKUHIN KOGYO KK 1980-01-26 JP disclosed
US-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed