SCHEMBL6544711

SCHEMBL6544711

CN(C(=O)OC(C)(C)C)c1cc(Oc2cc(C(C)(C)C)c(O)cc2C(C)(C)C)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.39
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
NR1H4 Q96RI1 6/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
XBP1 P17861 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
SCHEMBL6543598 0.90 ESRRA (0.50) ESRRANR1H4ALDH1A1GAAATM
SCHEMBL6544813 0.87 ALDH1A1 (0.39) ESRRAALOX15LMNANR1H4ALDH1A1
SCHEMBL6543994 0.85 ESRRA (0.39) ESRRAALOX15LMNANR1H4ALDH1A1
SCHEMBL6543795 0.83 AR (0.36) ALDH1A1GAATHRATHRBNPSR1
SCHEMBL6544202 0.81 ABL1 (0.32)
SCHEMBL6544812 0.81 ESRRA (0.33) ESRRATHRATHRB
SCHEMBL6544374 0.80 PARP10 (0.38) ESRRAKDM4E
SCHEMBL6543660 0.80 ESRRA (0.37) ESRRANR1H4THRATHRB
SCHEMBL6543097 0.79 PGR (0.33)
SCHEMBL27782470 0.79 HPGD (0.39) HPGDALDH1A1GAACYP1A2SMN1; SMN2

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