SCHEMBL7626469

SCHEMBL7626469

OC(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.62
CES2 O00748 2/20 0.57
ACP3 P15309 2/20 0.53
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
MGLL Q99685 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL4135956 0.85 PNMT (0.65) PNMTCES2ACP3IDO1TDO2
SCHEMBL22189207 0.83 PNMT (0.56) PNMTCES2ACP3IDO1TDO2
SCHEMBL2498815 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL1535283 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL1044909 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL29404730 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL343403 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL22193351 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL15792112 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2
SCHEMBL27743204 0.82 PNMT (0.61) PNMTCES2ACP3IDO1TDO2

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
CN-110088077-A (meth) acrylate compound, optical resin additive, optical element, and optical device 株式会社尼康 2019-08-02 CN disclosed
CN-109503637-A For treating the noval chemical compound of the disease of helminth 安纳考尔医药公司 2019-03-22 CN disclosed
CN-109153688-A Oxaborolidine esters and uses thereof 安纳考尔医药公司 2019-01-04 CN disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed