SCHEMBL8339101

SCHEMBL8339101

CCCCCC(CNC(=O)Nc1c(SCC)cc(C)nc1SCC)c1c(Cl)sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.35
▸ EPHX1 P07099 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PPARA Q07869 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 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
SCHEMBL8339149 0.93 MAPT (0.33) MAPTHPGDSOAT1NPC1RAB9A
SCHEMBL8341288 0.92 MAPT (0.34) MAPTHPGDSOAT1NPC1RAB9A
SCHEMBL8343139 0.90 SOAT1 (0.41) EPHX2EPHX1SOAT1NPC1RAB9A
SCHEMBL8338151 0.82 EPHX2 (0.36) EPHX2
SCHEMBL8343571 0.79 EPHX2 (0.34) EPHX2EPHX1
SCHEMBL8338963 0.79 EPHX2 (0.34) EPHX2EPHX1MAPTLMNA
SCHEMBL8341668 0.78 EPHX2 (0.35) EPHX2EPHX1
SCHEMBL8341157 0.78 EPHX2 (0.36) EPHX2EPHX1MAPT
SCHEMBL8341191 0.78 — —
SCHEMBL8341188 0.75 ALOX5 (0.33) EPHX2SMN1; SMN2PPARG

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 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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