SCHEMBL9000830

SCHEMBL9000830

CSc1cc(C)nc(SC)c1NC(=O)C(=O)C1CCC(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.39
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GBA1 P04062 2/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL9000761 0.87 SOAT1 (0.39) SOAT1MEN1KMT2AKDM4ENPC1
SCHEMBL9000829 0.84 SOAT1 (0.37) SOAT1MEN1KMT2AKDM4ENPSR1
SCHEMBL9000803 0.78 SOAT1 (0.37) SOAT1
SCHEMBL32667998 0.75 CYP1A2 (0.50) SOAT1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14565845 0.74 SOAT1 (0.46) SOAT1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4492754 0.72 SOAT1 (0.47) SOAT1MEN1KMT2AKDM4ECYP1A2
SCHEMBL9008115 0.72 SOAT1 (0.39) SOAT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL9000628 0.72 SOAT1 (0.45) SOAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9000543 0.71 ALDH1A1 (0.49) SOAT1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6286103 0.70 SOAT1 (0.41) SOAT1MEN1KMT2AKDM4ECYP1A2

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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