SCHEMBL7308139

SCHEMBL7308139

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ ERAP2 Q6P179 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ REN P00797 5/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ KLKB1 P03952 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
SCHEMBL7286409 0.84 LTA4H (0.47) MMP1MMP13ANPEPERAP2LTA4H
SCHEMBL7286416 0.84 LTA4H (0.47) MMP1MMP13ANPEPERAP2LTA4H
SCHEMBL7308131 0.75 CTSD (0.45) MMP1MMP13ANPEPERAP2LTA4H
SCHEMBL10716075 0.72 LTA4H (0.46) MMP1ANPEPERAP2LTA4HREN
SCHEMBL10716078 0.72 LTA4H (0.46) MMP1ANPEPERAP2LTA4HREN
SCHEMBL7296156 0.71 REN (0.49) REN
SCHEMBL10715965 0.71 ACE2 (0.53) MMEACEACE2
Hydrochloric Acid SCHEMBL10718561 0.71 ACE2 (0.48) MMP1ANPEPERAP2MMECPA1
SCHEMBL10718428 0.70 REN (0.44) ANPEPERAP2LTA4HRENMME
Hydrochloric Acid SCHEMBL9848368 0.69 CTSD (0.55) RENBACE1

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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