SCHEMBL7308131

SCHEMBL7308131

CC(C)C(C(=O)O)C(C(CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.45
▸ CTSE P14091 1/20 0.45
▸ PGC P20142 1/20 0.45
▸ REN P00797 11/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41

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
SCHEMBL7296156 0.83 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7306963 0.80 CPB2 (0.48) —
Hydrochloric Acid SCHEMBL9848368 0.77 CTSD (0.55) CTSDCTSEPGCRENBACE1
Hydrochloric Acid SCHEMBL9848349 0.77 CTSD (0.55) CTSDCTSEPGCRENBACE1
SCHEMBL7286409 0.77 LTA4H (0.47) CTSDCTSEPGCLTA4HMME
SCHEMBL7286416 0.77 LTA4H (0.47) CTSDCTSEPGCLTA4HMME
SCHEMBL7308139 0.75 MMP1 (0.42) RENLTA4HMMEACECPA1
SCHEMBL10716078 0.74 LTA4H (0.46) CTSDCTSEPGCRENLTA4H
SCHEMBL10716075 0.74 LTA4H (0.46) CTSDCTSEPGCRENLTA4H
Hydrochloric Acid SCHEMBL8535563 0.74 CTSD (0.52) CTSDCTSEPGCRENBACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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