SCHEMBL9706686

SCHEMBL9706686

Cc1[nH]c(=O)n(-c2cc(C(=O)OC(C)C)c(Cl)cc2F)c(=O)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.34
PPOX P50336 3/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
WDR5 P61964 1/20 0.31
NOTUM Q6P988 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL9706535 0.93 ALDH1A1 (0.35) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10644543 0.92 ALDH1A1 (0.34) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10645636 0.91 ALDH1A1 (0.34) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL9706706 0.90 MAPT (0.33) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10645460 0.89 MAPT (0.34) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10647224 0.88 BCAT2 (0.34) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10651044 0.87 COMT (0.36) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL9706685 0.86 HPGD (0.35) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10532288 0.86 HPGD (0.33) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL10647819 0.85 MAPT (0.32) ALDH1A1MAPTHPGDKDM4ELMNA

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-0195346-B1 3-ARYL URACILES AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1992-06-24 EP claimed
US-4760163-A 3-(5-carboxy-4-substituted-phenyl)-(thio)uracil-esters and salts HOFFMANN-LAROCHE INC. (US) 1988-07-26 US disclosed
US-4746352-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1988-05-24 US disclosed