SCHEMBL3401516

SCHEMBL3401516

O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRL1 P41146 1/20 0.42
LIPE Q05469 13/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL8540845 0.87 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1OPRL1LIPE
SCHEMBL6177616 0.80 LIPE (0.46) POLBL3MBTL1OPRL1LIPEPIM1
SCHEMBL1257933 0.78 POLB (0.43) POLBL3MBTL1OPRL1LIPEMEN1
SCHEMBL8535783 0.78 ALDH1A1 (0.48) ALDH1A1POLBLIPEMEN1MAPT
SCHEMBL6173519 0.77 AR (0.52) POLBL3MBTL1LIPEMEN1CYP1A2
SCHEMBL15576793 0.77 LIPE (0.51) POLBL3MBTL1OPRL1LIPEPPARG
SCHEMBL4713959 0.74 ALDH1A1 (0.48) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL20956958 0.74 LIPE (0.49) POLBL3MBTL1OPRL1LIPE
Hydrochloric Acid SCHEMBL12520748 0.72 POLB (0.42) POLBL3MBTL1OPRL1LIPEPIM1
SCHEMBL4549488 0.72 MAPT (0.49) ALDH1A1POLBL3MBTL1LIPEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed