SCHEMBL18175919

SCHEMBL18175919

O=C(OC1CCCC1)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 3/20 0.40
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
OR51E2 Q9H255 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
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
SCHEMBL17026692 0.98 EPHX1 (0.44) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL28177087 0.96 L3MBTL1 (0.37) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL28177085 0.91 OR51E2 (0.40) EPHX1L3MBTL1CYP19A1CYP2C19OR51E2
SCHEMBL2256215 0.82 EPHX1 (0.50) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL28874666 0.82 L3MBTL1 (0.51) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL5050116 0.80 L3MBTL1 (0.54) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL5050113 0.80 CYP2C19 (0.50) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL23698922 0.80 NAAA (0.52) EPHX1L3MBTL1NAAA
SCHEMBL18658469 0.79 EPHX1 (0.43) EPHX1L3MBTL1CYP19A1NAAACYP2C19
SCHEMBL18075110 0.79 EPHX1 (0.39) EPHX1L3MBTL1CYP19A1NAAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104023996-B For the method for the polydiene and polydiene copolymer that prepare the cold flow with reduction 株式会社普利司通 2017-10-24 CN disclosed
EP-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 EP disclosed