SCHEMBL8341157

SCHEMBL8341157

CCCCCCC(CNC(=O)Nc1c(SCC)cc(C)nc1SCC)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.36
▸ EPHX1 P07099 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL8338963 0.99 EPHX2 (0.34) EPHX2EPHX1ALDH1A1MAPTKDM4E
SCHEMBL8343577 0.91 MAPT (0.33) MAPTNPSR1L3MBTL1
SCHEMBL8343254 0.90 NPSR1 (0.34) MAPTNPSR1L3MBTL1
SCHEMBL8341289 0.89 MAPT (0.34) MAPTNPSR1L3MBTL1
SCHEMBL7771363 0.89 KMT2A (0.39) ALDH1A1MAPT
SCHEMBL8344880 0.88 SOAT1 (0.37) EPHX2ALDH1A1MAPTKDM4E
SCHEMBL8343733 0.88 KMT2A (0.38) ALDH1A1MAPT
SCHEMBL8338705 0.87 SOAT1 (0.37) EPHX2ALDH1A1MAPTKDM4E
SCHEMBL8341668 0.86 EPHX2 (0.35) EPHX2EPHX1
SCHEMBL8340874 0.86 TP53 (0.31) EPHX2MAPT

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 3 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 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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