SCHEMBL9646603

SCHEMBL9646603

COC(=O)C(CC(C)C)C[PH](=O)OC(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ REN P00797 13/20 0.41
▸ AAK1 Q2M2I8 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9646165 0.92 CTSK (0.45) CTSSCTSKRENAAK1
SCHEMBL9646344 0.89 CTSS (0.43) CTSSCTSKRENAAK1
SCHEMBL7334369 0.86 REN (0.32) CTSSCTSKREN
SCHEMBL9646634 0.85 CTSK (0.40) CTSSCTSKRENAAK1
SCHEMBL7274679 0.85 REN (0.55) REN
SCHEMBL9646563 0.82 CTSK (0.40) CTSSCTSKRENAAK1
SCHEMBL7274926 0.81 CTSK (0.47) CTSSCTSKREN
SCHEMBL7277428 0.79 CTSK (0.37) CTSKRENSMN1; SMN2
SCHEMBL9646949 0.78 CTSK (0.52) CTSSCTSKRENAAK1
Bromide SCHEMBL10716005 0.78 CTSK (0.36) CTSKRENSMN1; SMN2

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 8 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
US-5147867-A Bactericides, (carba)penicillins MERCK & CO., INC. (US) 1992-09-15 — — US disclosed
US-5145990-A Dehydropeptidase, carbapenicillin potentiation MERCK & CO., INC. (US) 1992-09-08 — — US disclosed
US-4962097-A IN COMBINATION WITH A CARBAPENEM OR PENEM ANTIBIOTIC MERCK & CO., INC. (US) 1990-10-09 — — US disclosed
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 — — EP disclosed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
EP-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
EP-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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