SCHEMBL9339162

SCHEMBL9339162

CCOC(=O)CC[C@@H](NC(=O)c1ccc(CCCCc2c(N)nc(N)nc2O)cc1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.54
GART P22102 1/20 0.49
ATIC P31939 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TYMS P04818 1/20 0.44
POLB P06746 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
SCHEMBL9339157 1.00 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9339174 0.99 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9339172 0.99 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9343679 0.98 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9343678 0.98 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9037720 0.89 DHFR (0.54) DHFRGARTATICKDM4EALDH1A1
SCHEMBL8997169 0.84 DHFR (0.50) DHFRGARTATICKDM4EALDH1A1
SCHEMBL8997185 0.84 DHFR (0.50) DHFRGARTATICKDM4EALDH1A1
SCHEMBL9038286 0.84 DHFR (0.68) DHFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9446073 0.83 DHFR (0.59) DHFR

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-0325343-B1 L-glutamic acid derivatives UNIV PRINCETON (US) 1994-06-22 EP disclosed
US-4871743-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed
EP-0325343-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-26 EP disclosed