SCHEMBL8867201

SCHEMBL8867201

CCCCNC(=O)Nc1cccc(/C=C/C[O])c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.56
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.51
EPHX2 P34913 5/20 0.51
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CDK8 P49336 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8867206 1.00 EPHX1 (0.56) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL8868106 0.92 MAPT (0.60) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL8868109 0.92 MAPT (0.60) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL8867211 0.90 EPHX1 (0.56) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL8866952 0.87 MAPT (0.46) EPHX1MAPTPKMCDK8SMN1; SMN2
SCHEMBL8866959 0.87 MAPT (0.46) EPHX1MAPTPKMCDK8SMN1; SMN2
SCHEMBL8868116 0.82 MAPT (0.60) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL8867734 0.82 MAOA (0.44) EPHX1ALDH1A1HTTMAPTPKM
SCHEMBL8867739 0.82 MAOA (0.44) EPHX1ALDH1A1HTTMAPTPKM
SCHEMBL8867679 0.81 MAOB (0.46) ALDH1A1MAPTPKM

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-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed