SCHEMBL12480993

SCHEMBL12480993

COC(=O)c1cccc(C(=O)OC)c1OC(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CFTR P13569 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL2426478 0.86
SCHEMBL175588 0.81 KDM4E (0.40) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL15675309 0.81 CA1 (0.38) KDM4ELMNATSHRMAPTKMT2A
SCHEMBL254711 0.79 NOTUM (0.33) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL1444214 0.76 CFTR (0.32) CFTR
SCHEMBL15675525 0.74 ALDH1A1 (0.39) KDM4EPOLBLMNATSHRMAPT
SCHEMBL14537548 0.72 KDM4E (0.36) PDK2PDK1PDK3PDK4KDM4E
SCHEMBL12480989 0.72
SCHEMBL2426482 0.72
SCHEMBL15675519 0.72 ALDH1A1 (0.52) TSHRKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2659040-A2 A FABRIC PREPARED FROM FLUORINATED POLYESTER BLEND YARNS E.I. Du Pont De Nemours And Company (US) 2013-11-06 EP disclosed
EP-2659036-A2 FIBERS AND YARNS FROM A FLUORINATED POLYESTER BLEND E.I. Du Pont De Nemours And Company (US) 2013-11-06 EP disclosed
WO-2012092330-A2 A FABRIC PREPARED FROM FLUORINATED POLYESTER BLEND YARNS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-05 WO disclosed
WO-2012092315-A2 FIBERS AND YARNS FROM A FLUORINATED POLYESTER BLEND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-05 WO disclosed