SCHEMBL8338705

SCHEMBL8338705

CCCCCC(CNC(=O)Nc1c(SC)cc(C)nc1SC)c1cc(C)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PYGL P06737 1/20 0.33
▸ PDE5A O76074 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
SCHEMBL8344880 0.99 SOAT1 (0.37) SOAT1ALDH1A1EPHX2MAPTKDM4E
SCHEMBL8344851 0.97 SOAT1 (0.38) SOAT1ALDH1A1EPHX2MAPTKDM4E
SCHEMBL8338150 0.94 SOAT1 (0.37) SOAT1ALDH1A1EPHX2MAPTKDM4E
SCHEMBL8344370 0.91 SOAT1 (0.37) SOAT1ALDH1A1
SCHEMBL8338312 0.91 SOAT1 (0.37) SOAT1ALDH1A1MAPTKDM4EPYGL
SCHEMBL8338866 0.90 SOAT1 (0.41) SOAT1ALDH1A1EPHX2KDM4E
SCHEMBL8338963 0.88 EPHX2 (0.34) ALDH1A1EPHX2MAPTKDM4EPYGL
SCHEMBL8345179 0.88 SOAT1 (0.41) SOAT1
SCHEMBL8340893 0.88 KMT2A (0.39) SOAT1ALDH1A1
SCHEMBL8341157 0.87 EPHX2 (0.36) ALDH1A1EPHX2MAPTKDM4E

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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