SCHEMBL9000698

SCHEMBL9000698

CCCCCCC(C(=O)Nc1c(SC)cc(C)nc1SC)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ SOAT1 P35610 3/20 0.37
▸ CYSLTR2 Q9NS75 3/20 0.36
▸ CYSLTR1 Q9Y271 3/20 0.36
▸ PDE5A O76074 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
SCHEMBL9000778 0.93 PPARG (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9000692 0.87 SOAT1 (0.46) SOAT1CYSLTR2CYSLTR1
SCHEMBL9000663 0.86 SOAT1 (0.37) PPARGPPARASOAT1
SCHEMBL9000825 0.86 GLI1 (0.39) SOAT1
SCHEMBL9000979 0.83 MMP9 (0.38) PPARGSOAT1
SCHEMBL9000693 0.82 EPHX1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9000757 0.82 KCNQ2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9000824 0.81 CDC7 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9000771 0.81 SOAT1 (0.47) PPARGPPARASOAT1
SCHEMBL9000773 0.81 FFAR2 (0.41) 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-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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