SCHEMBL8028862

SCHEMBL8028862

COc1ccc(C=CC(=O)N(C(=O)C=Cc2ccc(OC)c(OC)c2)C(CN)C(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NFE2L2 Q16236 1/20 0.56
SNCA P37840 1/20 0.53
KMT2A Q03164 4/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
MEN1 O00255 2/20 0.51
BCHE P06276 1/20 0.49
MAOA P21397 1/20 0.49
ACHE P22303 1/20 0.49
MAOB P27338 1/20 0.49
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL8030338 0.87 JUN (0.51) APPKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8028844 0.78 GRIK1 (0.58) APPMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8031858 0.78 JUN (0.52) APPKDM4ESMN1; SMN2ALDH1A1NFE2L2
SCHEMBL18569889 0.77 NFE2L2 (0.61) APPMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL783249 0.76 APP (0.70) APPMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6320958 0.76 APP (0.70) APPMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6320126 0.76 APP (0.70) APPMAPK1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8028615 0.76 JUN (0.52) APPKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8028618 0.76 JUN (0.52) APPKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8029524 0.76 JUN (0.52) APPKDM4ESMN1; SMN2ALDH1A1KMT2A

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
WO-2000063152-A1 ACETYLATED AND RELATED ANALOGUES OF CHICORIC ACID AS HIV INTEGRASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-10-26 WO disclosed