SCHEMBL8340895

SCHEMBL8340895

CCC(CC)(CNC(=O)Nc1c(SC(C)C)cc(C)nc1SC(C)C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 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
SCHEMBL8344256 0.85 SOAT1 (0.43) RXFP1TP53SMN1; SMN2RAB9ANPC1
SCHEMBL9197622 0.72 SOAT1 (0.50) LMNAKMT2A
SCHEMBL4982583 0.71 RXFP1 (0.39) RXFP1TP53ALDH1A1MAPTPOLB
SCHEMBL8340897 0.71 TAS1R3 (0.37) RXFP1TP53ALDH1A1MAPTPOLB
SCHEMBL4984778 0.67 MPO (0.62) SMN1; SMN2ALDH1A1MAPTRECQLPOLB
SCHEMBL4985801 0.67 RAB9A (0.67) RXFP1TP53SMN1; SMN2RAB9ANPC1
SCHEMBL8343161 0.65 SOAT1 (0.45) SMN1; SMN2ALDH1A1POLB
SCHEMBL6277357 0.65 SOAT1 (0.49) RAB9AALDH1A1POLBLMNAKMT2A
SCHEMBL9513462 0.65 CHRM2 (0.45) MAPTLMNAKMT2A
SCHEMBL4983108 0.64 SOAT1 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1POLB

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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