SCHEMBL6608431

SCHEMBL6608431

COc1cc(CP(=O)(O)O)on1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.36
PGK1 P00558 4/20 0.35
PGK2 P07205 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CHRNA4 P43681 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MME P08473 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
SCHEMBL8911503 0.80 CHRM1 (0.40) CHRM1ALDH1A1SMN1; SMN2MME
SCHEMBL8864052 0.79 MAPT (0.43) CHRM1ALDH1A1KDM4E
SCHEMBL11346905 0.77 VHL (0.46) PGK1PGK2ALDH1A1SMN1; SMN2
SCHEMBL8911499 0.76 CHRM1 (0.41) CHRM1CHRNA4SMN1; SMN2
SCHEMBL3154694 0.76
SCHEMBL10621994 0.75 FDPS (0.40)
SCHEMBL11374447 0.74 PTGS1 (0.42) ALDH1A1CHRNA4CYP1A2SMN1; SMN2KDM4E
SCHEMBL11394538 0.74 EPHX2 (0.42) PGK1PGK2SMN1; SMN2
SCHEMBL10283737 0.74
SCHEMBL11391155 0.72 EPHX2 (0.43) PGK1PGK2ALDH1A1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590789-B9 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2004-02-04 EP disclosed
EP-0590789-B1 Excitatory amino acid receptor antagonists LILLY CO ELI (US) 2003-03-12 EP disclosed
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-5648492-A Process for preparing isoquinoline compounds ELI LILLY AND COMPANY (US) 1997-07-15 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5606062-A STEREOSELECTIVE REDUCTION ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
US-5399696-A Excitatory amino acid receptor antagonists; nervous system disorders ELI LILLY AND COMPANY (US) 1995-03-21 US disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
EP-0590789-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1994-04-06 EP disclosed
US-5284957-A Substituted 1H- or 2H-tetrazoles ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed