SCHEMBL8344258

SCHEMBL8344258

CCCC(NC(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1CC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ TAS1R3 Q7RTX0 4/20 0.38
▸ TAS1R1 Q7RTX1 4/20 0.38
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CTSA P10619 2/20 0.33
▸ ANPEP P15144 1/20 0.32
▸ LMNA P02545 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
SCHEMBL8340897 0.87 TAS1R3 (0.37) TAS1R3TAS1R1PYGLCYP2C9CTSA
SCHEMBL8343999 0.76 SOAT1 (0.38) SOAT1TAS1R3TAS1R1PYGLCYP2C9
SCHEMBL8345179 0.75 SOAT1 (0.41) SOAT1
SCHEMBL8339156 0.75 SOAT1 (0.38) SOAT1TAS1R3TAS1R1PYGLCYP2C9
SCHEMBL8523783 0.74 SOAT1 (0.39) SOAT1PYGLCYP2C9
SCHEMBL8340932 0.72 SOAT1 (0.39) SOAT1
SCHEMBL8343161 0.72 SOAT1 (0.45) SOAT1
SCHEMBL8340740 0.72 SOAT1 (0.39) SOAT1
SCHEMBL8338349 0.70 SOAT1 (0.35) SOAT1TAS1R3TAS1R1PYGLCYP2C9
SCHEMBL8338762 0.70 FPR1 (0.34) SOAT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US claimed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 — — EP claimed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 — — WO claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US disclosed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 — — EP disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 — — WO disclosed
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