SCHEMBL9185451

SCHEMBL9185451

CCCCCC(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
GPR84 Q9NQS5 4/20 0.41

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
SCHEMBL8393308 0.99 CYSLTR2 (0.49) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL8391655 0.99 CYSLTR2 (0.49) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL9807320 0.92 PLA2G10 (0.46) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL9807303 0.90 HPGD (0.54) CYP2C9HPGDCYP2C19HTTKDM4E
SCHEMBL2023427 0.88 CYSLTR2 (0.59) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL4647668 0.85 CYSLTR2 (0.39) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL3814689 0.84 CYP2C9 (0.56) CYP2C9HPGDCYP2C19HTTKDM4E
SCHEMBL8876792 0.84 CYSLTR2 (0.57) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL10580858 0.84 KDM4E (0.46) CYP2C9HPGDCYP2C19HTTCYSLTR2
SCHEMBL10580574 0.84 KDM4E (0.46) CYP2C9HPGDCYP2C19HTTCYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457735-B1 Biocatalytic process for the production of L-(-)-carnitine from crotonobetaine and strains of Proteeae for use in said process SIGMA TAU IND FARMACEUTI (IT) 1995-07-26 EP disclosed
US-5300430-A Hydration SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-04-05 US disclosed
EP-0457735-A1 Biocatalytic process for the production of L-(-)-carnitine from crotonobetaine and strains of Proteeae for use in said process Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-11-21 EP disclosed
EP-0254000-B1 RAPID DETECTION OF N. GONORRHOEAE WITHOUT CULTURE MILES INC. (US) 1991-05-22 EP disclosed
EP-0163748-B1 MANUFACTURE OF HIGHER ARYL ESTERS Ashland Oil, Inc. (US) 1988-04-13 EP disclosed
EP-0254000-A1 Rapid detection of N. gonorrhoeae without culture MILES INC. (US) 1988-01-27 EP disclosed
EP-0163748-A1 Manufacture of higher aryl esters Ashland Oil, Inc. (US) 1985-12-11 EP disclosed
US-4477385-A Manufacture of higher aryl esters ASHLAND OIL, INC. (US) 1984-10-16 US disclosed
US-4456555-A Manufacture of aryl esters ASHLAND OIL, INC. (US) 1984-06-26 US disclosed