SCHEMBL29603617

SCHEMBL29603617

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.60
▸ MME P08473 6/20 0.60
▸ CPA1 P15085 6/20 0.60
▸ ACE2 Q9BYF1 6/20 0.60
▸ BACE1 P56817 3/20 0.55
▸ CTSD P07339 4/20 0.54
▸ ENPEP Q07075 2/20 0.50

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
SCHEMBL29603734 1.00 ACE (0.60) ACEMMECPA1ACE2BACE1
SCHEMBL30839324 0.92 BACE1 (0.59) ACEMMECPA1ACE2BACE1
SCHEMBL30051590 0.92 ACE (0.64) ACEMMECPA1ACE2BACE1
SCHEMBL30787545 0.91 BACE1 (0.65) BACE1CTSD
SCHEMBL30053045 0.91 CTSD (0.61) ACEMMECPA1ACE2BACE1
SCHEMBL30655941 0.91 CTSD (0.57) ACEMMECPA1ACE2BACE1
SCHEMBL17305518 0.90 BACE1 (0.62) BACE1CTSD
SCHEMBL31206305 0.90 BACE1 (0.62) BACE1CTSD
SCHEMBL29379622 0.89 BACE1 (0.62) ACEMMECPA1ACE2BACE1
SCHEMBL29603718 0.89 BACE1 (0.62) ACEMMECPA1ACE2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220167645-A1 METHODS OF IMPROVING FISH FEED CONVERSION RATE AND SURVIVAL AQUINOVO LTD. (IL) 2022-06-02 — — US claimed
CN-106661088-B Neurokinin B antagonists in fish reproduction 耶路撒冷希伯来大学伊萨姆研究发展有限公司 2024-06-21 — — CN disclosed
US-20220167645-A1 METHODS OF IMPROVING FISH FEED CONVERSION RATE AND SURVIVAL AQUINOVO LTD. (IL) 2022-06-02 — — US disclosed
Send feedback