SCHEMBL9603218

SCHEMBL9603218

CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(CC)c2=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARA Q07869 3/20 0.33
NOTUM Q6P988 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 2/20 0.33
DHODH Q02127 1/20 0.33
PPARD Q03181 2/20 0.33
CRHR1 P34998 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6553785 0.91 CYP4F2 (0.34) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL9587110 0.90 CMA1 (0.33) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL9586983 0.90 LMNA (0.36) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL9587114 0.87 NPSR1 (0.32) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL9589477 0.85 CYP4F2 (0.33) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL14036918 0.84 ALDH1A1 (0.32) CTSBTDP1PPARANOTUMPPARG
SCHEMBL6553619 0.82 CYP4F2 (0.33) CYP4F2CYP4A11CTSBTDP1PPARA
SCHEMBL9587737 0.81 BCAT1 (0.42) CYP4F2CYP4A11TSHRMAPT
Butafenacil SCHEMBL39148 0.80 XPA (0.34) PPARAMAPK1PPARGPPARD
Butafenacil SCHEMBL29482232 0.80 XPA (0.34) PPARAMAPK1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183492-A Herbicides as enol ethers CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed