SCHEMBL8980141

SCHEMBL8980141

CC(CC(=O)OC1CCCC1)C(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
NAAA Q02083 2/20 0.46
HTT P42858 1/20 0.44
CYP19A1 P11511 3/20 0.43
EPHX1 P07099 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CACNA1B Q00975 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
LTA4H P09960 1/20 0.34
ANPEP P15144 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

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
SCHEMBL8980116 0.98 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL1999871 0.98 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL27646997 0.85 CACNA1B (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL28902096 0.84 L3MBTL1 (0.52) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL23270918 0.82 NAAA (0.50) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL17675658 0.82 NAAA (0.51) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL23270910 0.81 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL2681050 0.81 EPHX1 (0.47) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL872809 0.81 CYP2C19 (0.53) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL18933032 0.81 NAAA (0.49) CYP2C19NAAAHTTCYP19A1EPHX1

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
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US claimed
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US disclosed
EP-0663382-A1 Process for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1995-07-19 EP disclosed