SCHEMBL10718428

SCHEMBL10718428

CCOC(=O)C(Cc1ccccc1)NC(CC1CCCCC1)P(=O)(O)CC(C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPRT1 P00492 1/20 0.40
▸ MME P08473 2/20 0.39
▸ ACE2 Q9BYF1 2/20 0.39
▸ ACE P12821 2/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ANPEP P15144 2/20 0.38
▸ ERAP2 Q6P179 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ECE1 P42892 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL10718361 0.82 REN (0.43) RENMMEACEECE1LMNA
SCHEMBL10718349 0.82 CPB2 (0.46) —
SCHEMBL7286409 0.80 LTA4H (0.47) MMEACE2ACECPA1ANPEP
SCHEMBL10715965 0.80 ACE2 (0.53) MMEACE2ACEECE1
SCHEMBL7286416 0.80 LTA4H (0.47) MMEACE2ACECPA1ANPEP
SCHEMBL10717475 0.75 REN (0.47) RENLMNA
SCHEMBL10717422 0.74 MMP1 (0.40) ANPEPERAP2
SCHEMBL25453220 0.71 MMP8 (0.56) HPRT1ACEANPEPLMNA
SCHEMBL21578811 0.71 MMP8 (0.56) HPRT1ACEANPEPLMNA
SCHEMBL7308139 0.70 MMP1 (0.42) RENMMEACE2ACECPA1

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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