SCHEMBL9316182

SCHEMBL9316182

CCOC(=O)c1cc(C(C)O)c(C)nc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL9316161 0.87 KDM4E (0.43) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL9800425 0.80 KDM4E (0.50) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL8661094 0.77 ALDH1A1 (0.50) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL9315414 0.77 SMN1; SMN2 (0.56) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL8322828 0.77 KDM4E (0.51) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL9205477 0.76 TSHR (0.49) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL8316014 0.75 ALDH1A1 (0.57) KDM4ETSHRALDH1A1ALOX15HPGD
SCHEMBL9315811 0.73 ALOX15 (0.45) KDM4ETSHRALDH1A1ALOX15HSD17B10
SCHEMBL8323222 0.72 ALDH1A1 (0.62) KDM4ETSHRALDH1A1ALOX15HPGD
SCHEMBL8661697 0.72 ALDH1A1 (0.54) KDM4ETSHRALDH1A1HPGDPOLB

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
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0322616-A2 Novel 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and nivel intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1989-07-05 EP disclosed