SCHEMBL9208063

SCHEMBL9208063

CCOC(=O)CC[C@H](NC(=O)c1ccc(CN(C=O)Cc2cnc3nc(NC(=O)C(C)(C)C)nc(O)c3c2)cc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TYMS P04818 2/20 0.39
ATIC P31939 1/20 0.39
GART P22102 1/20 0.35

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
SCHEMBL9215363 0.89 L3MBTL1 (0.45) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9049346 0.89 L3MBTL1 (0.46) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9049343 0.89 L3MBTL1 (0.46) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9208126 0.89 DHFR (0.41) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9050159 0.88 L3MBTL1 (0.45) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9050162 0.88 L3MBTL1 (0.45) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL10515864 0.86 DHFR (0.51) DHFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9216506 0.83 L3MBTL1 (0.43) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9070579 0.83 L3MBTL1 (0.45) DHFRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL9070578 0.83 L3MBTL1 (0.45) DHFRL3MBTL1KDM4EALDH1A1HPGD

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