SCHEMBL10715825

SCHEMBL10715825

CC(C)C(CP(=O)(O)C(CC1CCCCC1)NC(=O)CCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 11/20 0.43
▸ EPHX2 P34913 2/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ BDKRB2 P30411 1/20 0.36

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
SCHEMBL7284748 0.85 CPB2 (0.49) CPB2
SCHEMBL7284754 0.85 CPB2 (0.49) CPB2
SCHEMBL10717475 0.79 REN (0.47) —
SCHEMBL10716157 0.79 CTSK (0.47) LTA4H
SCHEMBL10718349 0.77 CPB2 (0.46) CPB2
SCHEMBL7286416 0.77 LTA4H (0.47) LTA4H
SCHEMBL7286409 0.77 LTA4H (0.47) LTA4H
SCHEMBL7306971 0.72 CPB2 (0.46) CPB2
SCHEMBL7285396 0.71 CPB2 (0.47) CPB2
SCHEMBL7285402 0.71 CPB2 (0.47) CPB2

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
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP claimed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
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