SCHEMBL9005392

SCHEMBL9005392

CSc1cc(C)nc(SC)c1NC(=O)CC1CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4492754 0.74 SOAT1 (0.47) SOAT1GAAALDH1A1LMNANPSR1
SCHEMBL9000543 0.73 ALDH1A1 (0.49) SOAT1NPC1RAB9AGAAALDH1A1
SCHEMBL14565845 0.73 SOAT1 (0.46) SOAT1GAAALDH1A1LMNACYP1A2
SCHEMBL4985295 0.72 SOAT1 (0.50) SOAT1GAAHPGDCYP1A2CYP3A4
SCHEMBL32667998 0.71 CYP1A2 (0.50) SOAT1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9008115 0.69 SOAT1 (0.39) SOAT1NPC1RAB9ANPSR1CYP1A2
SCHEMBL8325945 0.69 SOAT1 (0.47) SOAT1NPC1RAB9AGAAALDH1A1
SCHEMBL8326103 0.69 SOAT1 (0.47) SOAT1NPC1RAB9AGAAALDH1A1
SCHEMBL9000830 0.68 SOAT1 (0.39) SOAT1NPC1RAB9AGAAALDH1A1
SCHEMBL9000761 0.68 SOAT1 (0.39) SOAT1NPC1RAB9AALDH1A1RXFP1

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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