SCHEMBL27705259

SCHEMBL27705259

O=C(CO)C(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
CYP2C19 P33261 1/20 0.43
NAAA Q02083 2/20 0.42
HTT P42858 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP19A1 P11511 4/20 0.39
GPR35 Q9HC97 2/20 0.38
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2999385 0.81 EPHX1 (0.54) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL3927732 0.81 EPHX1 (0.53) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL18186686 0.81 EPHX1 (0.53) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL26129465 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL28341222 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL530375 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL11591531 0.78 EPHX1 (0.50) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL3020222 0.78 NAAA (0.54) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL5439388 0.77 CYP2C19 (0.55) EPHX1CYP2C19NAAAHTTCA12
SCHEMBL2255784 0.77 CYP2C19 (0.55) EPHX1CYP2C19NAAAHTTCA12

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-101454270-A Process for preparing hydroxy-aromatic resins, hydroxy-aromatic resins and modifications thereof DSM IP ASSETS BV (NL) 2009-06-10 CN claimed
CN-101977951-A Composition comprising a polyol DSM IP ASSETS BV 2011-02-16 CN disclosed
CN-101977983-A Composition comprising a blend of resins DSM IP ASSETS BV 2011-02-16 CN disclosed
CN-101454270-A Process for preparing hydroxy-aromatic resins, hydroxy-aromatic resins and modifications thereof DSM IP ASSETS BV (NL) 2009-06-10 CN disclosed
CN-101068841-A Hydroxy-aromatic compound, process for the preparation thereof, and use of the compound DSM IP ASSETS BV (NL) 2007-11-07 CN disclosed