SCHEMBL9512802

SCHEMBL9512802

O=C(O)CN(Cc1ccccc1)c1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.48
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTPN1 P18031 2/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 2/20 0.41
STAT3 P40763 1/20 0.40
ESRRG P62508 1/20 0.40
TSHR P16473 1/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL5189401 0.82 TSHR (0.57) NR3C1CYP2C19KDM4EPTPN1CNR2
SCHEMBL10906279 0.78 NR3C1 (0.49) NR3C1CYP2C19PTPN1HPGDCNR2
SCHEMBL28565303 0.78 CYP2C19 (0.71) NR3C1CYP2C19CNR2TSHR
SCHEMBL264790 0.78 PTPN1 (0.52) NR3C1CYP2C19PTPN1CNR2TSHR
SCHEMBL9512466 0.75 ENPP2 (0.42) PGK1PGK2
Benzylphosphonic Acid SCHEMBL44318 0.75 HPGD (0.60) HPGDTSHRPGK1PGK2
SCHEMBL1932004 0.75 NR1H4 (0.55) NR3C1CYP2C19TSHRNR1H2NR1H3
SCHEMBL6560868 0.75 NR3C1 (0.56) NR3C1CNR2
SCHEMBL16353269 0.74 PGK1 (0.49) CYP2C19KDM4EHPGDPGK1PGK2
SCHEMBL7635507 0.74 LMNA (0.48) NR3C1CNR2

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