SCHEMBL10715976

SCHEMBL10715976

COC(=O)CP(=O)(O)C(N)CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPEP1 P16444 10/20 0.49
▸ METAP1 P53582 1/20 0.43
▸ CTSK P43235 1/20 0.39
▸ ANPEP P15144 2/20 0.39
▸ ERAP2 Q6P179 2/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
Hydrochloric Acid SCHEMBL7283296 0.99 DPEP1 (0.48) DPEP1METAP1CTSKANPEPERAP2
SCHEMBL7277423 0.75 ANPEP (0.47) DPEP1METAP1ANPEPERAP2MMP1
SCHEMBL10439822 0.74 DPEP1 (0.50) DPEP1METAP1
SCHEMBL9646445 0.74 DPEP1 (0.50) DPEP1METAP1
Bromide SCHEMBL10716158 0.74 ANPEP (0.46) DPEP1METAP1ANPEPERAP2MMP1
SCHEMBL9647128 0.72 DPEP1 (0.63) DPEP1METAP1
SCHEMBL9647109 0.72 DPEP1 (0.63) DPEP1METAP1
SCHEMBL9645166 0.72 DPEP1 (0.63) DPEP1METAP1
SCHEMBL9646942 0.72 DPEP1 (0.63) DPEP1METAP1
SCHEMBL9647139 0.72 DPEP1 (0.63) DPEP1METAP1

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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