SCHEMBL10463192

SCHEMBL10463192

CCOC(=O)c1c(-c2ccc(Cl)cc2)oc(-c2ccc(Cl)cc2)c(CC)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
TARBP2 Q15633 1/20 0.47
PRKCZ Q05513 2/20 0.46
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALPL P05186 1/20 0.41
ABCC1 P33527 1/20 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
SCHEMBL11274908 0.73 ALOX5 (0.46) ALOX5PRKCZTP53ALDH1A1KDM4E
SCHEMBL2297349 0.72 ALOX5 (1.00) ALOX5ALDH1A1KDM4EHPGDMEN1
SCHEMBL4009908 0.71 RAB9A (0.46) ALOX5TARBP2ALDH1A1MEN1KMT2A
SCHEMBL16972721 0.71 TP53 (0.56) ALOX5TARBP2PRKCZTP53MDM2
SCHEMBL3009975 0.71 ALOX5 (0.52) ALOX5TARBP2PRKCZTP53MDM2
SCHEMBL16568257 0.70 TP53 (0.55) ALOX5PRKCZTP53MDM2ALDH1A1
SCHEMBL4743899 0.69 TARBP2 (0.64) ALOX5TARBP2ALDH1A1KDM4EHPGD
SCHEMBL10668171 0.69 SMN1; SMN2 (0.52) ALOX5TARBP2PRKCZTP53ALDH1A1
SCHEMBL11088629 0.69 MAOB (0.58) ALOX5TARBP2PRKCZTP53ALDH1A1
SCHEMBL16972716 0.69 TP53 (0.54) ALOX5TARBP2PRKCZTP53MDM2

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
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed