SCHEMBL6493083

SCHEMBL6493083

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

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.75
▸ FPGS Q05932 2/20 0.74
▸ GART P22102 5/20 0.56
▸ DHFR P00374 1/20 0.51
▸ MTHFD1 P11586 1/20 0.49
▸ ATIC P31939 4/20 0.49
▸ NOS1 P29475 2/20 0.48
▸ NOS3 P29474 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ LMNA P02545 1/20 0.45

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
SCHEMBL15121249 0.90 SOST (0.78) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL50298 0.90 SOST (0.78) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL3953439 0.90 SOST (0.78) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL716106 0.90 SOST (0.78) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL28469783 0.89 SOST (0.77) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL27708884 0.89 SOST (0.77) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL28206357 0.89 SOST (0.79) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL4334665 0.88 SOST (0.76) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL10464162 0.88 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1
SCHEMBL20509041 0.88 SOST (0.85) SOSTFPGSGARTDHFRMTHFD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849628-B2 Optically active compounds THE UNIVERSITY OF STRATHCLYDE (GB) 2005-02-01 — — US disclosed
US-6500829-B1 MIXTURES OF STEREOISOMERS USED AS ANTICARCINOGENIC AGENTS OR FOR THE TREATMENT OF VITAMIN DEFICIENCY UNIVERSITY OF STRATHCLYDE (GB) 2002-12-31 — — US disclosed
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