SCHEMBL13547532

SCHEMBL13547532

CC(C)N1C(=O)C[C@H](c2cc(Cl)cc(Cl)c2)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 9/20 0.40
▸ TP53 P04637 4/20 0.35
▸ HSD17B2 P37059 5/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TTR P02766 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL13547533 0.85 MDM2 (0.53) MDM2TP53HSD17B2
SCHEMBL15744018 0.79 HSD17B2 (0.42) MDM2HSD17B2SIGMAR1
SCHEMBL20208296 0.78 SIGMAR1 (0.51) HSD17B2TSHRSIGMAR1
SCHEMBL13395242 0.75 SIGMAR1 (0.31) HSD17B2SIGMAR1
SCHEMBL13413595 0.75 SIGMAR1 (0.43) MDM2TP53HSD17B2SIGMAR1P2RX7
SCHEMBL13547561 0.69 FADS1 (0.38) MDM2TP53TTR
SCHEMBL22222475 0.69 FADS1 (0.38) MDM2TP53TTR
SCHEMBL20794167 0.69 FADS1 (0.38) MDM2TP53TTR
SCHEMBL9946558 0.67 MDM2 (0.36) MDM2TP53TTR
SCHEMBL13950179 0.67 MDM2 (0.36) MDM2TP53TTR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 — — US disclosed
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