SCHEMBL10464162

SCHEMBL10464162

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

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.85
▸ FPGS Q05932 2/20 0.76
▸ GART P22102 5/20 0.64
▸ DHFR P00374 1/20 0.58
▸ ATIC P31939 4/20 0.56
▸ MTHFD1 P11586 2/20 0.56
▸ LMNA P02545 1/20 0.49
▸ MTHFD2 P13995 1/20 0.49

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
SCHEMBL3446205 0.94 SOST (0.75) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL29435894 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL30051444 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL1069545 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL29870853 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL9879710 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL8030 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL2691812 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL159231 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC
Tetrahydrofolate SCHEMBL4535491 0.92 SOST (1.00) SOSTFPGSGARTDHFRATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959472-A Process for preparing substantially pure diastereoisomers of tetrahydrofolic derivatives UNIVERSITY OF STRATHCLYDE (GB) 1990-09-25 — — US claimed
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