SCHEMBL8340897

SCHEMBL8340897

CCCC(NC(=O)Nc1c(SC(C)C)cc(C)nc1SC(C)C)c1ccccc1CC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ ANPEP P15144 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CTSA P10619 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GRB7 Q14451 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8344258 0.87 SOAT1 (0.41) TAS1R3TAS1R1ANPEPPYGLCYP2C9
SCHEMBL8340895 0.71 RXFP1 (0.36) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL4982583 0.70 RXFP1 (0.39) CYP2C9ALDH1A1POLBMEN1KMT2A
SCHEMBL4984778 0.66 MPO (0.62) CYP2C9ALDH1A1POLBMAPTLMNA
SCHEMBL8343999 0.66 SOAT1 (0.38) TAS1R3TAS1R1PYGLCYP2C9CTSA
SCHEMBL4979917 0.65 NPC1 (0.67) CYP2C9ALDH1A1POLBMEN1KMT2A
SCHEMBL4985801 0.65 RAB9A (0.67) CYP2C9ALDH1A1POLBMEN1KMT2A
SCHEMBL6277357 0.64 SOAT1 (0.49) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL4984500 0.63 LMNA (0.65) ALDH1A1POLBMAPTTP53LMNA
SCHEMBL8523783 0.63 SOAT1 (0.39) PYGLCYP2C9POLBMEN1KMT2A

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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