SCHEMBL9211015

SCHEMBL9211015

CCCCCC(CNC(=O)Nc1c(SC)cc(C)nc1SC)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ SOAT1 P35610 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL8338876 0.90 SOAT1 (0.35) SOAT1
SCHEMBL8339036 0.88 SOAT1 (0.37) SOAT1
SCHEMBL8340844 0.87 SOAT1 (0.36) SOAT1
SCHEMBL8338866 0.86 SOAT1 (0.41) SOAT1
SCHEMBL8344037 0.85 SOAT1 (0.34) SOAT1
SCHEMBL8344420 0.84 KMT2A (0.36) SOAT1
SCHEMBL8340821 0.83 KMT2A (0.36) —
SCHEMBL8339510 0.83 SOAT1 (0.39) SOAT1
SCHEMBL8344907 0.83 POLB (0.36) GAAPOLBHTR1AHTR2CHTR2A
SCHEMBL8341284 0.82 SOAT1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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