SCHEMBL8338759

SCHEMBL8338759

COc1cccc(C(C)(C)CCCCCNC(=O)Nc2c(SC)cc(C)nc2SC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SOAT1 P35610 6/20 0.35
▸ HPGD P15428 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 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
SCHEMBL8343764 0.86 KMT2A (0.37) KMT2APOLBSOAT1MEN1TP53
SCHEMBL8338345 0.82 SOAT1 (0.36) KMT2APOLBCNR1CNR2SOAT1
SCHEMBL8339153 0.78 SOAT1 (0.38) KMT2ASOAT1HPGDMEN1MAPT
SCHEMBL8340844 0.73 SOAT1 (0.36) SOAT1PKMHSD17B10
SCHEMBL8341097 0.71 KMT2A (0.44) KMT2APOLBSOAT1MEN1
SCHEMBL8338762 0.69 FPR1 (0.34) SOAT1
SCHEMBL9211015 0.67 GAA (0.35) POLBSOAT1
SCHEMBL8340821 0.65 KMT2A (0.36) KMT2AMEN1
SCHEMBL8344256 0.65 SOAT1 (0.43) KMT2ASOAT1HPGDHSD17B10MEN1
SCHEMBL8344420 0.64 KMT2A (0.36) KMT2ASOAT1PKMHSD17B10MEN1

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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