SCHEMBL19209983

SCHEMBL19209983

COc1c(Cl)ccc(B(O)OC(C)(C)C(C)(C)O)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 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
SCHEMBL15083039 0.82 ALDH1A1 (0.41) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL29951760 0.78 ALDH1A1 (0.43) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL718784 0.78 ALDH1A1 (0.43) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL14665871 0.76 ALDH1A1 (0.41) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL18230240 0.75 TDP1 (0.34) ALDH1A1
SCHEMBL15065240 0.74 MEP1B (0.38) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL18642254 0.72 CES2 (0.31)
SCHEMBL11903213 0.71 MEP1B (0.36) MEP1BKDM4EALDH1A1HSD17B10TAS1R3
SCHEMBL4520012 0.71 ENPP2 (0.32)
SCHEMBL19610354 0.71 TUBB4A (0.34) ALDH1A1

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
EP-2797933-B1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-08-16 EP claimed