SCHEMBL10646014

SCHEMBL10646014

CC(C)OC(=O)c1cc(-n2c(=O)[nH]c3c(c2=O)CCC3)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL9706578 0.91 TSHR (0.34) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL9706605 0.91 TSHR (0.34) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL9706613 0.89 PPOX (0.36) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL10647008 0.83 TSHR (0.36) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL10645553 0.83 TSHR (0.36) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL10650046 0.81 TSHR (0.34) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL10645208 0.79 KDM4E (0.30) HPGDKDM4EALDH1A1HSD17B10
SCHEMBL10575094 0.77 PPOX (0.50) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL9706696 0.76 HPGD (0.38) TSHRMAPTLMNAHPGDKDM4E
SCHEMBL9706673 0.76 HPGD (0.40) TSHRMAPTLMNAHPGDKDM4E

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-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