SCHEMBL9512151

SCHEMBL9512151

CCC(CC)(c1cc(C)c(C(N)C#N)cc1C)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33

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
SCHEMBL9512854 0.71 PTPN5 (0.35) PGK1PGK2
SCHEMBL9512171 0.69 CYP1A2 (0.36) PGK1PGK2
SCHEMBL9514039 0.69 PGK1 (0.38) PGK1PGK2
SCHEMBL11731750 0.68 PGK1 (0.40) PGK1PGK2
SCHEMBL11895632 0.67 AR (0.35) PGK1PGK2
SCHEMBL11763736 0.67 PGK1 (0.42) PGK1PGK2
SCHEMBL9512164 0.66 EGFR (0.34) PGK1PGK2
SCHEMBL11761874 0.64 PTPN1 (0.36) PGK1PGK2
SCHEMBL11730393 0.63 PGK1 (0.41) PGK1PGK2
SCHEMBL6298903 0.63 PGK1 (0.34) PGK1PGK2

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 2 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 claimed
EP-0313002-A2 Phenyl glycines for use in reducing neurotoxic injury G.D. Searle & Co. (US) 1989-04-26 — — EP claimed
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