SCHEMBL11158160

SCHEMBL11158160

CCOC(=O)/C=C1/NC(=O)N(CC)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPK1 P28482 4/20 0.44
HSD17B10 Q99714 4/20 0.44
CASP1 P29466 1/20 0.44
HPGD P15428 5/20 0.40
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 1/20 0.36
PPM1A P35813 1/20 0.36
PTPN9 P43378 1/20 0.36
PTPN18 Q99952 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
SCHEMBL11158162 1.00 ALDH1A1 (0.44) ALDH1A1MAPTPKMPOLBHTT
SCHEMBL11158557 0.73 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL11158554 0.73 ALDH1A1 (0.46) ALDH1A1MAPTPOLBKDM4EMAPK1
SCHEMBL11215833 0.71 MAPK1 (0.47) ALDH1A1MAPTPOLBHTTKDM4E
SCHEMBL11215831 0.71 MAPK1 (0.47) ALDH1A1MAPTPOLBHTTKDM4E
SCHEMBL4419006 0.69 KDM4E (0.57) ALDH1A1MAPTKDM4EMAPK1HSD17B10
SCHEMBL4419010 0.69 KDM4E (0.57) ALDH1A1MAPTKDM4EMAPK1HSD17B10
SCHEMBL4563368 0.66 MAPK1 (0.65) ALDH1A1MAPTPKMHTTKDM4E
SCHEMBL10963507 0.66 ALDH1A1 (0.40) ALDH1A1MAPTPKMPOLBHTT
SCHEMBL13899728 0.66 MAPK1 (0.75) ALDH1A1MAPTPKMPOLBHTT

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-4400508-A AGRICULTURE; PLANT DISEASES; ANTISEPTICS UBE INDUSTRIES, LTD. (JP) 1983-08-23 US disclosed