SCHEMBL9000693

SCHEMBL9000693

CCCCCCC(C(=O)Nc1c(SC)cc(C)nc1SC)c1ccc(C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
SOAT1 P35610 6/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL9000773 0.93 FFAR2 (0.41) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000793 0.91 SOAT1 (0.37) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000920 0.90 MAPK1 (0.37) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000979 0.90 MMP9 (0.38) SOAT1
SCHEMBL9000785 0.90 PPARG (0.37) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000824 0.90 CDC7 (0.37) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000362 0.88 POLB (0.39) SOAT1
SCHEMBL9000778 0.87 PPARG (0.40) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000757 0.86 KCNQ2 (0.37) SOAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL9000680 0.85 SOAT1 (0.45) EPHX1SOAT1CRHR1

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