SCHEMBL9716675

SCHEMBL9716675

O=C(O)CNc1ccccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.53
ALDH1A1 P00352 5/20 0.51
AGTR1 P30556 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL698881 0.90 AGTR1 (0.60) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL9716698 0.86 AGTR1 (0.49) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL6174044 0.86 AGTR1 (0.59) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL8923851 0.86 AKR1C3 (0.57) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL10660692 0.86 AGTR1 (0.59) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL6570855 0.82 KMT2A (0.64) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL10659074 0.82 KMT2A (0.48) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL10536918 0.79 AGTR1 (0.51) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL29620333 0.78 KDM4E (0.71) ALDH1A1AGTR1RAB9AKDM4EKMT2A
SCHEMBL341645 0.78 KDM4E (0.71) ALDH1A1AGTR1RAB9AKDM4EKMT2A

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed