SCHEMBL10539774

SCHEMBL10539774

COC(=O)CNC(=O)/C=C/C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
TET2 Q6N021 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 8/20 0.45
TAAR1 Q96RJ0 2/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFPT1 Q06210 1/20 0.40

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
SCHEMBL10537735 1.00 CYP2C19 (0.50) CYP2C19CYP1A2TET2HCAR2RECQL
SCHEMBL10537743 1.00 CYP2C19 (0.50) CYP2C19CYP1A2TET2HCAR2RECQL
SCHEMBL28226928 0.81 CYP1A2 (0.51) CYP2C19CYP1A2TET2RECQLALDH1A1
SCHEMBL21183495 0.81 CYP1A2 (0.51) CYP2C19CYP1A2TET2RECQLALDH1A1
SCHEMBL22043406 0.80 ALDH1A1 (0.50) CYP2C19HCAR2ALDH1A1TAAR1POLB
SCHEMBL1682715 0.80 ALDH1A1 (0.50) CYP2C19ALDH1A1TAAR1POLBLMNA
SCHEMBL1060147 0.80 ALDH1A1 (0.50) CYP2C19ALDH1A1TAAR1POLBLMNA
SCHEMBL8004720 0.78 ALDH1A1 (0.50) CYP2C19ALDH1A1TAAR1POLBLMNA
SCHEMBL8004724 0.78 ALDH1A1 (0.50) CYP2C19ALDH1A1TAAR1POLBLMNA
SCHEMBL10505567 0.77 CYP1A2 (0.45) CYP2C19CYP1A2TET2RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H645-H Process for the conversion of maleic acid derivatives to their corresponding fumaric isomers THE NUTRASWEET COMPANY (US) 1989-06-06 US disclosed