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SCHEMBL10179271

SCHEMBL10179271

O=C(O)c1cc(OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(F)F)c(C(=O)O)cc1OC(F)(F)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 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
SCHEMBL159985 0.86 PYGL (0.38) HSD17B10KDM4EUSP2ALDH1A1HPGD
SCHEMBL12302083 0.84 KDM4E (0.33) HSD17B10KDM4EUSP2ALDH1A1HPGD
SCHEMBL160267 0.81 PYGL (0.35) HSD17B10KDM4EUSP2ALDH1A1HPGD
SCHEMBL1439934 0.78 AURKA (0.34) HSD17B10ALDH1A1TSHR
SCHEMBL1440970 0.76 CA12 (0.39) KDM4EUSP2ALDH1A1TSHR
SCHEMBL1533930 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1439810 0.75 NOTUM (0.43) HSD17B10KDM4EALDH1A1HPGD
SCHEMBL12302112 0.74 NOTUM (0.30) —
SCHEMBL158528 0.73 CA12 (0.36) HSD17B10KDM4EUSP2ALDH1A1HPGD
SCHEMBL12303212 0.73 KDM4E (0.32) KDM4EALDH1A1TSHR

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-2473474-A2 FLUOROETHER FUNCTIONALIZED AROMATIC DIESTERS AND DERIVATIVES THEREOF E. I. du Pont de Nemours and Company (US) 2012-07-11 — — EP disclosed