SCHEMBL9209872

SCHEMBL9209872

CCOC(=O)CC[C@H](NC(=O)c1ccc(CNCC2CNc3nc(NC(=O)C(C)(C)C)nc(O)c3C2)cc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 4/20 0.35
ATIC P31939 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34

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
SCHEMBL9050424 0.91 GART (0.48) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9050434 0.91 GART (0.48) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9048289 0.90 GART (0.44) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9048299 0.90 GART (0.44) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9215054 0.88 DHFR (0.37) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9211571 0.87 GART (0.52) GARTDHFRATIC
SCHEMBL10570448 0.87 GART (0.52) GARTDHFRATIC
SCHEMBL10479162 0.86 KDM4E (0.37) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10479164 0.86 KDM4E (0.37) GARTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9215631 0.86 GART (0.35) GARTKDM4EALDH1A1HPGDHSD17B10

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-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP disclosed
EP-0344922-A2 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-06 EP disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed