SCHEMBL3909136

SCHEMBL3909136

COC(=O)C(CC(C)C)c1cc(-c2ccccc2)cc(Oc2ccc(F)c(OC)c2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CTSK P43235 7/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
C5AR1 P21730 1/20 0.34
PDE2A O00408 1/20 0.33
PTGER2 P43116 2/20 0.33
TSPO P30536 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL3919476 0.89 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3915852 0.89 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911281 0.87 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3914129 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3909139 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3656567 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3907262 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3650092 0.84 SCN9A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3922807 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3910339 0.82 PSEN1 (0.45) 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