SCHEMBL6558338

SCHEMBL6558338

CCOC(=O)c1cnc(-c2ccc(C)cc2)n(CC(OCC)OCC)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
GAA P10253 4/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL6556171 0.91 GAA (0.45) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6557695 0.91 NPC1 (0.48) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6558284 0.91 KDM4E (0.53) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6558325 0.90 KDM4E (0.49) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6556112 0.90 CSNK1D (0.45) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6556282 0.90 KDM4E (0.38) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6558388 0.88 KDM4E (0.49) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6556255 0.87 MAPT (0.46) KDM4EGAAGLAALDH1A1MEN1
SCHEMBL6558390 0.85 NPC1 (0.46) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL6558246 0.83 KDM4E (0.48) KDM4EGAAGLAHPGDALDH1A1

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-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed