SCHEMBL6544573

SCHEMBL6544573

CN(C(=O)OC(C)(C)C)c1cc(Oc2cccc(-c3ccccc3)c2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
BRD4 O60885 1/20 0.39
HDAC2 Q92769 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MMP13 P45452 1/20 0.37
SCN9A Q15858 1/20 0.36
AOC3 Q16853 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
IKBKB O14920 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6543998 0.93 MMP13 (0.39) FFAR1FFAR4BRD4HDAC2MMP13
SCHEMBL6543768 0.92 MMP13 (0.43) HDAC2MMP13HDAC3HDAC1
SCHEMBL6543619 0.87 HDAC3 (0.39) BRD4HDAC2HSD17B1HSD17B2MMP13
SCHEMBL27782488 0.86 HSD17B1 (0.47) FFAR1HSD17B1HSD17B2
SCHEMBL27782486 0.85 MGLL (0.40)
SCHEMBL6543661 0.85 HSD17B1 (0.39) FFAR1BRD4HSD17B1HSD17B2MMP13
SCHEMBL6544387 0.84 NCOA1 (0.44) FFAR1FFAR4BRD4SCN9A
SCHEMBL6544878 0.84 PARP10 (0.35) MMP13
SCHEMBL6543664 0.83 SRD5A2 (0.41) HDAC2MMP13ACACBACACAHDAC3
SCHEMBL6544022 0.83 ALOX5 (0.42) FFAR1FFAR4BRD4HSD17B1HSD17B2

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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed