SCHEMBL6544823

SCHEMBL6544823

Cn1c(COc2ccc(C=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.52
PPARG P37231 14/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL6544301 0.85 PTGS2 (0.48) ESRRAPPARG
SCHEMBL6544303 0.85 PTGS2 (0.48) ESRRAPPARG
SCHEMBL6697822 0.85 ESRRA (0.51) ESRRAPPARG
SCHEMBL6699619 0.84 ESRRA (0.48) ESRRAPPARG
Hydrochloric Acid SCHEMBL6700550 0.83 ESRRA (0.47) ESRRAPPARG
SCHEMBL6543658 0.80 PPARG (0.72) ESRRAPPARG
Hydrochloric Acid SCHEMBL6544222 0.79 PPARG (0.71) ESRRAPPARG
SCHEMBL6544220 0.79 ESRRA (0.41) ESRRAPPARGTP53MAPT
SCHEMBL6701377 0.78 ESRRA (0.44) ESRRAPPARGNPC1RAB9A
SCHEMBL6703679 0.77 ESRRA (0.42) ESRRAPPARGNPC1RAB9A

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