SCHEMBL7100127

SCHEMBL7100127

NC(=O)CC[C@H](NC(=O)c1ccc(NC[C@H]2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPGS Q05932 2/20 1.00
▸ SOST Q9BQB4 1/20 0.89
▸ GART P22102 5/20 0.67
▸ DHFR P00374 1/20 0.60
▸ ATIC P31939 2/20 0.58
▸ MTHFD1 P11586 2/20 0.56
▸ MTHFD2 P13995 2/20 0.51
▸ LMNA P02545 1/20 0.51

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
Tetrahydrofolate SCHEMBL1069545 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL4535491 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL29870853 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL159231 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL8030 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL2691812 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL29435894 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL30051444 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL9879710 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC
Tetrahydrofolate SCHEMBL258530 0.94 SOST (1.00) FPGSSOSTGARTDHFRATIC

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
WO-2003097858-A1 IDENTIFICATION METHOD FOR PROTECTING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-11-27 — — WO disclosed
EP-0348641-B1 Process for the preparation of tetrahydrofolates EPROVA AG (CH) 1995-06-21 — — EP disclosed
Send feedback