SCHEMBL9000779

SCHEMBL9000779

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 7/20 0.43
▸ SOAT2 O75908 1/20 0.43
▸ ACAT1 P24752 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9000749 0.92 SOAT1 (0.42) SOAT1SOAT2ACAT1MAPTTRPV1
SCHEMBL9000680 0.90 SOAT1 (0.45) SOAT1SOAT2ACAT1GPR84SMN1; SMN2
SCHEMBL9000769 0.89 SOAT1 (0.44) SOAT1SOAT2ACAT1GPR84MAPT
SCHEMBL9000790 0.89 SOAT1 (0.44) SOAT1SOAT2ACAT1MAPTMEN1
SCHEMBL9000516 0.89 SOAT1 (0.55) SOAT1SOAT2ACAT1ALDH1A1SMN1; SMN2
SCHEMBL9000915 0.88 SOAT1 (0.44) SOAT1SOAT2ACAT1
SCHEMBL9000916 0.88 SOAT1 (0.49) SOAT1SOAT2ACAT1
SCHEMBL9000962 0.88 SOAT1 (0.43) SOAT1SOAT2ACAT1ALDH1A1
SCHEMBL9000890 0.88 SOAT1 (0.43) SOAT1SOAT2ACAT1MAPTSMN1; SMN2
SCHEMBL9000356 0.86 SOAT1 (0.42) SOAT1SOAT2ACAT1MAPTMEN1

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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