SCHEMBL7062913

SCHEMBL7062913

CN(OCO)C(=O)CC(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CHRM1 P11229 1/20 0.38
NPY5R Q15761 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.36
UBE2N P61088 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL6343341 0.85 EPHX1 (0.49) EPHX1GAACYP1A2CYP2D6PKM
SCHEMBL6937352 0.76 EPHX1 (0.51) EPHX1GAASMN1; SMN2MMP9MMP8
SCHEMBL12718845 0.73 EPHX1 (0.59) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL3353282 0.72 EPHX1 (0.63) EPHX1GAACYP1A2CYP2D6PKM
SCHEMBL2587234 0.72 EPHX1 (0.63) EPHX1GAACYP1A2CYP2D6PKM
SCHEMBL27446150 0.72 EPHX1 (0.54) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL6904222 0.72 EPHX1 (0.58) EPHX1GAACHRM1TDP1ALOX5
SCHEMBL4494122 0.72 EPHX1 (0.58) EPHX1GAACHRM1TDP1ALOX5
Hydrochloric Acid SCHEMBL3353959 0.71 EPHX1 (0.61) EPHX1GAACYP1A2CYP2D6PKM
SCHEMBL16881947 0.70 EPHX1 (0.66) EPHX1CYP1A2CYP2D6PKMSMN1; SMN2

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
EP-1032424-B9 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2004-10-06 EP claimed
EP-1032424-B1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2001-09-12 EP claimed