SCHEMBL4633178

SCHEMBL4633178

COC(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)OC.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.62
▸ FPGS Q05932 2/20 0.61
▸ GART P22102 3/20 0.47
▸ DHFR P00374 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MTHFD1 P11586 1/20 0.42
▸ ATIC P31939 2/20 0.42
▸ NOS1 P29475 2/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL4613239 0.91 SOST (0.67) SOSTFPGSGARTDHFRLMNA
SCHEMBL3446205 0.90 SOST (0.75) SOSTFPGSGARTDHFRLMNA
Phenylmethanesulfonic Acid SCHEMBL4612019 0.90 SOST (0.66) SOSTFPGSGARTDHFRLMNA
SCHEMBL4613237 0.85 SOST (0.59) SOSTFPGSGARTDHFRLMNA
SCHEMBL4612379 0.85 SOST (0.59) SOSTFPGSGARTDHFRLMNA
SCHEMBL7077904 0.85 SOST (0.85) SOSTFPGSGARTDHFRLMNA
SCHEMBL27903149 0.85 SOST (0.85) SOSTFPGSGARTDHFRLMNA
SCHEMBL20509041 0.85 SOST (0.85) SOSTFPGSGARTDHFRLMNA
SCHEMBL10464162 0.85 SOST (0.85) SOSTFPGSGARTDHFRLMNA
SCHEMBL133543 0.85 SOST (0.85) SOSTFPGSGARTDHFRLMNA

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-1200436-B1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS MERCK EPROVA AG (CH) 2008-10-29 — — EP disclosed
EP-1200436-A1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID SALTS EPROVA AG Forschungsinstitut (CH) 2002-05-02 — — EP disclosed
WO-2001004121-A1 METHOD FOR MAKING PURE STEREOISOMERS OF TETRAHYDROFOLIC ACID ESTER SALTS AND TETRAHYDROFOLIC ACID BY FRACTIONATED CRYSTALLISATION OF TETRAHYDROFOLIC ACID ESTER SALTS EPROVA AG (CH) 2001-01-18 — — WO disclosed
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