SCHEMBL8338345

SCHEMBL8338345

CSc1cc(C)nc(SC)c1NC(=O)NCCCCCC(C)(C)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ POLB P06746 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
SCHEMBL8343995 0.91 SOAT1 (0.40) SOAT1ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL8523782 0.85 SOAT1 (0.41) SOAT1ALDH1A1KMT2AMEN1POLB
SCHEMBL8339153 0.83 SOAT1 (0.38) SOAT1ALDH1A1EPHX2MAPTHPGD
SCHEMBL8343764 0.83 KMT2A (0.37) SOAT1ALDH1A1KDM4ENPSR1MAPT
SCHEMBL8338759 0.82 KMT2A (0.35) SOAT1MAPTTP53HPGDKMT2A
SCHEMBL8344880 0.72 SOAT1 (0.37) SOAT1ALDH1A1EPHX2KDM4EMAPT
SCHEMBL8344851 0.71 SOAT1 (0.38) SOAT1ALDH1A1EPHX2KDM4ENPSR1
SCHEMBL8344370 0.70 SOAT1 (0.37) SOAT1ALDH1A1NPSR1L3MBTL1KMT2A
SCHEMBL8338705 0.70 SOAT1 (0.37) SOAT1ALDH1A1EPHX2KDM4EMAPT
SCHEMBL8322248 0.70 SOAT1 (0.49) SOAT1ALDH1A1KDM4EMAPTTP53

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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