SCHEMBL9205477

SCHEMBL9205477

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
ERN1 O75460 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41

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
SCHEMBL20140713 0.87 KDM4E (0.60) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9800425 0.82 KDM4E (0.50) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9202023 0.81 NPSR1 (0.44) KDM4EALDH1A1HPGDHSD17B10ERN1
SCHEMBL8322828 0.79 KDM4E (0.51) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9315414 0.79 SMN1; SMN2 (0.56) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL8661094 0.79 ALDH1A1 (0.50) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL8316014 0.77 ALDH1A1 (0.57) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9316182 0.76 KDM4E (0.44) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9315811 0.76 ALOX15 (0.45) TSHRKDM4EALDH1A1HPGDALOX15
SCHEMBL9316161 0.75 KDM4E (0.43) TSHRKDM4EALDH1A1HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539676-B1 Oxime derivatives of formylpyridyl imidazolinones, the herbicidal us and methods for the preparation thereof AMERICAN CYANAMID CO (US) 1995-07-12 EP disclosed
US-5215568-A OXIME DERIVATIVES OF FORMYLPYRIDYL IMIDAZOLINONES, THE HERBICIDAL USE AND METHODS FOR THE PREPARATION THEREOF AMERICAN CYANAMID COMPANY (US) 1993-06-01 US disclosed
EP-0539676-A1 Oxime derivatives of formylpyridyl imidazolinones, the herbicidal us and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1993-05-05 EP disclosed