SCHEMBL9000516

SCHEMBL9000516

CCCCCCSC(C(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 7/20 0.55
▸ SOAT2 O75908 1/20 0.55
▸ ACAT1 P24752 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.38
▸ NAAA Q02083 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL9000916 0.94 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000771 0.92 SOAT1 (0.47) SOAT1SOAT2ACAT1
SCHEMBL9000680 0.91 SOAT1 (0.45) SOAT1SOAT2ACAT1SMN1; SMN2
SCHEMBL9000769 0.91 SOAT1 (0.44) SOAT1SOAT2ACAT1SMN1; SMN2
SCHEMBL9000790 0.91 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000692 0.91 SOAT1 (0.46) SOAT1SOAT2ACAT1
SCHEMBL9000915 0.90 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000779 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1ALDH1A1SMN1; SMN2
SCHEMBL9000890 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1SMN1; SMN2
SCHEMBL9000962 0.89 SOAT1 (0.43) SOAT1SOAT2ACAT1ALDH1A1CYP1A2

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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