SCHEMBL3914129

SCHEMBL3914129

COC(=O)C(CC(C)C)c1cc(-c2ccccc2)cc(Oc2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
MAPK14 Q16539 2/20 0.40
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
BACE1 P56817 1/20 0.37
SCN9A Q15858 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
SCHEMBL3915852 0.92 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3908937 0.91 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3909139 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3650092 0.89 SCN9A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3919476 0.87 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3909136 0.87 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911281 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656567 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3907262 0.85 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3917999 0.84 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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-2021314-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2009-02-11 EP disclosed
WO-2007124394-A1 SUBSTITUTED BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-11-01 WO disclosed