SCHEMBL29603579

SCHEMBL29603579

N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.62
▸ ECE1 P42892 7/20 0.58
▸ ERAP2 Q6P179 1/20 0.58
▸ LTA4H P09960 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HIF1A Q16665 1/20 0.57

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
SCHEMBL29603737 1.00 ACE (0.62) ACEECE1ERAP2LTA4HALOX15
SCHEMBL14941216 0.95 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL7422711 0.95 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL29603940 0.95 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL29414401 0.92 ACE (0.62) ACEECE1ERAP2LTA4HALOX15
SCHEMBL30946945 0.90 ECE1 (0.70) ACEECE1ERAP2
SCHEMBL29603192 0.90 ERAP2 (0.66) ACEECE1ERAP2LTA4HALOX15
SCHEMBL29603387 0.90 ERAP2 (0.66) ACEECE1ERAP2LTA4HALOX15
SCHEMBL31674592 0.90 KDM4E (0.60) ACEECE1ERAP2LTA4HALOX15
SCHEMBL29776751 0.90 ACE (0.69) ACEECE1

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
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