SCHEMBL7308247

SCHEMBL7308247

O=C(Nc1cccc2ccccc12)O[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 3/20 0.53
GSK3B P49841 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
ACE P12821 1/20 0.47
MAPT P10636 2/20 0.47
SRR Q9GZT4 2/20 0.47

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
SCHEMBL26181912 0.85 ALDH1A1 (0.62) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL7305558 0.83 KDM4E (0.57) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL30374739 0.78 KDM4E (0.60) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL7300708 0.76 PPARG (0.60) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL799890 0.76 KDM4E (0.64) KMT2AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7300480 0.76 KDM4E (0.57) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL7305671 0.74 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL7306271 0.74 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL17880836 0.74 KDM4E (0.73) KMT2AMEN1KDM4EALDH1A1GSK3B
SCHEMBL14306608 0.74 KDM4E (0.73) KMT2AMEN1KDM4EALDH1A1GSK3B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed