SCHEMBL6544220

SCHEMBL6544220

Cn1c(CO)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.41
MAPT P10636 3/20 0.37
HPN P05981 1/20 0.37
ALOX15 P16050 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
TP53 P04637 1/20 0.36
RHEB Q15382 1/20 0.35
F2R P25116 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
PPARG P37231 1/20 0.33
VCAM1 P19320 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 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
SCHEMBL6544823 0.79 ESRRA (0.52) ESRRAMAPTTP53PPARG
SCHEMBL6697822 0.77 ESRRA (0.51) ESRRAPPARG
SCHEMBL6699619 0.76 ESRRA (0.48) ESRRAPPARG
Hydrochloric Acid SCHEMBL6700550 0.75 ESRRA (0.47) ESRRAPPARG
SCHEMBL6544301 0.73 PTGS2 (0.48) ESRRAHPGDPPARGPOLB
SCHEMBL6543658 0.72 PPARG (0.72) ESRRAPPARG
SCHEMBL3177529 0.69 ALOX15 (0.71) MAPTHPNALOX15SIRT5TP53
SCHEMBL23638515 0.69 RAB9A (0.49) MAPTALOX15TP53RHEBALDH1A1
SCHEMBL3487680 0.68 CYP11B1 (0.47) RHEBPPARGGAA
SCHEMBL4777935 0.68 MAPT (0.45) MAPTTP53RHEBALDH1A1HPGD

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