SCHEMBL9514039

SCHEMBL9514039

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ SRC P12931 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL11763736 0.73 PGK1 (0.42) PGK1PGK2ALDH1A1
SCHEMBL11761874 0.70 PTPN1 (0.36) PGK1PGK2
SCHEMBL26908623 0.69 ALDH1A1 (0.40) SRCALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL11730393 0.69 PGK1 (0.41) PGK1PGK2
SCHEMBL9512151 0.69 PGK1 (0.33) PGK1PGK2
SCHEMBL6298903 0.69 PGK1 (0.34) PGK1PGK2
SCHEMBL2884919 0.69 GRIA1 (0.56) SRCALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL1035151 0.68 PGK1 (0.39) PGK1PGK2ALDH1A1SMN1; SMN2
SCHEMBL9172802 0.67 PGK1 (0.37) PGK1PGK2
SCHEMBL1585204 0.66 TSHR (0.41) PGK1PGK2ALDH1A1

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
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