SCHEMBL11960720

SCHEMBL11960720

CC(C)CC(C(=O)O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2ccc(N)c(C(F)(F)F)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.67
PSEN2 P49810 3/20 0.67
APH1B Q8WW43 3/20 0.67
NCSTN Q92542 3/20 0.67
APH1A Q96BI3 3/20 0.67
PSENEN Q9NZ42 3/20 0.67
AKR1C3 P42330 10/20 0.44
AKR1C2 P52895 10/20 0.44
APP P05067 1/20 0.43
RXRA P19793 4/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 3/20 0.40
ICMT O60725 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL491555 0.87 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10077734 0.86 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491298 0.85 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491366 0.85 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491329 0.85 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491938 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491331 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491340 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491516 0.80 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL491430 0.80 PSEN1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016039-B1 TERPHENYL DERIVATIVES FOR TREATMENT OF ALZHEIMER' S DISEASE ORTHO MCNEIL JANSSEN PHARM (US) 2012-08-01 EP disclosed