SCHEMBL9512466

SCHEMBL9512466

CN(CC(=O)O)c1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
PGK1 P00558 5/20 0.42
PGK2 P07205 5/20 0.42
DGAT2 Q96PD7 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL1804264 0.79 CA2 (0.42) CA12CA1CA2CA9
SCHEMBL13634482 0.79 ALDH1A1 (0.48) CA12CA1CA2CA9
SCHEMBL2641797 0.78 ALDH1A1 (0.52) ENPP2PGK1PGK2DGAT2
SCHEMBL16335457 0.76 PGK1 (0.46) ENPP2PGK1PGK2
SCHEMBL9512802 0.75 NR3C1 (0.48) PGK1PGK2
SCHEMBL797850 0.74 CA2 (0.43) CA12CA1CA2CA9
SCHEMBL3348892 0.74 KEAP1 (0.54) CA12CA1CA2CA9
SCHEMBL196635 0.74 KMT2A (0.49) CA12CA2CA9
SCHEMBL8169299 0.73 ALDH1A1 (0.59)
SCHEMBL3349309 0.73 MAPT (0.41) CA12CA1CA2CA9

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-0313002-B1 Phenyl glycines for use in reducing neurotoxic injury SEARLE & CO (US) 1993-12-01 EP disclosed
US-4918064-A TREATMENT OF ANOXIA OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-04-17 US disclosed
EP-0313002-A2 Phenyl glycines for use in reducing neurotoxic injury G.D. Searle & Co. (US) 1989-04-26 EP disclosed