SCHEMBL30500405

SCHEMBL30500405

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 5/20 0.59
▸ ERAP2 Q6P179 6/20 0.58
▸ ERAP1 Q9NZ08 4/20 0.56
▸ IL1RN P18510 4/20 0.56
▸ MMP2 P08253 4/20 0.55
▸ MMP1 P03956 2/20 0.55
▸ MMP9 P14780 2/20 0.55
▸ MMP8 P22894 2/20 0.55
▸ ACE P12821 2/20 0.55
▸ ANPEP P15144 1/20 0.55
▸ TP53 P04637 1/20 0.53
▸ MDM2 Q00987 1/20 0.53

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
SCHEMBL29427859 0.97 ERAP2 (0.63) ECE1ERAP2ERAP1IL1RNMMP2
SCHEMBL31510666 0.95 ECE1 (0.54) ECE1ERAP2ERAP1IL1RNMMP2
SCHEMBL30490001 0.94 TP53 (0.57) ECE1ERAP2ERAP1IL1RNMMP2
SCHEMBL30506397 0.94 ERAP2 (0.59) ECE1ERAP2ERAP1IL1RNANPEP
SCHEMBL30436333 0.93 ECE1 (0.61) ECE1ERAP2ERAP1IL1RNMMP2
SCHEMBL30166489 0.93 ECE1 (0.61) ECE1ERAP2ERAP1IL1RNMMP2
SCHEMBL29516260 0.93 ERAP2 (0.61) ECE1ERAP2ERAP1IL1RNACE
SCHEMBL31259938 0.92 ACE (0.57) ECE1ACE
SCHEMBL31259940 0.92 ACE (0.57) ECE1ACE
SCHEMBL29577528 0.92 ACE (0.57) ECE1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119395302-A Method for screening and obtaining interaction protein of bait protein in plants based on AP-SWATH technology 南京林业大学 2025-02-07 — — CN disclosed
CN-116463371-B Application of soybean GmCCS gene in drought resistance of plants 东北农业大学 2024-04-26 — — CN disclosed
CN-116286881-B Sugarcane tip rot effector FsSCR1 gene and application thereof 广西大学 2023-09-05 — — CN disclosed
CN-116463371-A Application of soybean GmCCS7 gene in drought resistance of plants 东北农业大学 2023-07-21 — — CN disclosed
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