SCHEMBL8848520

SCHEMBL8848520

OC(c1ccc(OCC(F)(F)F)nc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2J2 P51589 1/20 0.45
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP17A1 P05093 1/20 0.39
IDH1 O75874 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
DGAT1 O75907 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN9A Q15858 1/20 0.36
TRPV3 Q8NET8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27931872 0.84 L3MBTL1 (0.53) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2715782 0.83 L3MBTL1 (0.51) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL22558653 0.81 CYP2C9 (0.57) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL22585575 0.81 L3MBTL1 (0.50) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL22585604 0.81 CYP2C9 (0.57) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL11918317 0.80 L3MBTL1 (0.51) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2423352 0.80 PIK3CA (0.47) POLBMAPT
SCHEMBL22585602 0.79 L3MBTL1 (0.48) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL7672082 0.78 L3MBTL1 (0.50) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL18101765 0.78 L3MBTL1 (0.47) L3MBTL1EPHX2CYP2C9CYP2C19CYP2J2

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-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
EP-0623103-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES. HOECHST SCHERING AGREVO GMBH (DE) 1994-11-09 EP disclosed
WO-1993014054-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1993-07-22 WO disclosed