SCHEMBL8339153

SCHEMBL8339153

CCC(C)(CCCCCCNC(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.38
▸ EPHX1 P07099 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 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
SCHEMBL8343995 0.90 SOAT1 (0.40) SOAT1EPHX1ALDH1A1HTTKMT2A
SCHEMBL8338345 0.83 SOAT1 (0.36) SOAT1ALDH1A1KMT2AEPHX2HPGD
SCHEMBL8523782 0.83 SOAT1 (0.41) SOAT1EPHX1ALDH1A1HTTKMT2A
SCHEMBL8339209 0.81 SOAT1 (0.42) SOAT1ALDH1A1HTTKMT2ALMNA
SCHEMBL8338759 0.78 KMT2A (0.35) SOAT1KMT2AHPGDMEN1MAPT
SCHEMBL8343764 0.75 KMT2A (0.37) SOAT1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL8344256 0.73 SOAT1 (0.43) SOAT1ALDH1A1HTTKMT2AHPGD
SCHEMBL8345179 0.71 SOAT1 (0.41) SOAT1
SCHEMBL8322248 0.70 SOAT1 (0.49) SOAT1ALDH1A1KMT2AMEN1MAPT
SCHEMBL8343161 0.70 SOAT1 (0.45) SOAT1ALDH1A1SMN1; SMN2

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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