SCHEMBL8343995

SCHEMBL8343995

CSc1cc(C)nc(SC)c1NC(=O)NCCCCCC(C)(C)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.40
▸ KMT2A Q03164 3/20 0.35
▸ EPHX1 P07099 4/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GFER P55789 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
SCHEMBL8338345 0.91 SOAT1 (0.36) SOAT1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8339153 0.90 SOAT1 (0.38) SOAT1KMT2AEPHX1KCNJ11HTT
SCHEMBL8523782 0.89 SOAT1 (0.41) SOAT1KMT2AEPHX1HTTMEN1
SCHEMBL8338759 0.85 KMT2A (0.35) SOAT1KMT2AMEN1
SCHEMBL8343764 0.83 KMT2A (0.37) SOAT1KMT2AHTTMEN1ALDH1A1
SCHEMBL8339209 0.79 SOAT1 (0.42) SOAT1KMT2AHTTMEN1ALDH1A1
SCHEMBL8343161 0.72 SOAT1 (0.45) SOAT1ALDH1A1SMN1; SMN2
SCHEMBL8345179 0.71 SOAT1 (0.41) SOAT1
SCHEMBL8344256 0.71 SOAT1 (0.43) SOAT1KMT2AHTTMEN1ALDH1A1
SCHEMBL8322248 0.70 SOAT1 (0.49) SOAT1KMT2AMEN1ALDH1A1

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 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
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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