SCHEMBL13460899

SCHEMBL13460899

COc1ccc(-c2cccc(C=O)c2)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.62
▸ PSEN2 P49810 3/20 0.62
▸ APH1B Q8WW43 3/20 0.62
▸ NCSTN Q92542 3/20 0.62
▸ APH1A Q96BI3 3/20 0.62
▸ PSENEN Q9NZ42 3/20 0.62
▸ PPARA Q07869 16/20 0.60
▸ PPARG P37231 7/20 0.58
▸ PPARD Q03181 5/20 0.58
▸ AKR1C3 P42330 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ DUSP3 P51452 1/20 0.48

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
SCHEMBL5974242 0.89 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3416273 0.85 PPARA (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13460768 0.83 PPARD (0.61) PPARAPPARGPPARD
SCHEMBL6380278 0.79 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6383495 0.79 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974498 0.78 PPARA (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13460943 0.78 PPARD (0.49) PPARAPPARGPPARD
SCHEMBL4663813 0.77 HPGD (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974875 0.77 PPARA (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5974323 0.77 PPARA (0.72) 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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
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