SCHEMBL30028577

SCHEMBL30028577

CC(C)(C)OC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ CMA1 P23946 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ XIAP P98170 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36

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
SCHEMBL30028199 0.86 CMA1 (0.40) KMT2AITGB1ITGA4CMA1POLB
SCHEMBL30852861 0.84 KMT2A (0.36) KMT2ACMA1SMN1; SMN2F2
SCHEMBL30543490 0.82 CMA1 (0.42) KMT2AITGB1ITGA4CMA1ACE
SCHEMBL29468902 0.82 GRB2 (0.47) KMT2AITGB1ITGA4CMA1XIAP
SCHEMBL29101143 0.82 OPRM1 (0.42) KMT2AITGB1ITGA4ACEXIAP
SCHEMBL28725265 0.82 OPRM1 (0.42) KMT2AITGB1ITGA4ACEXIAP
SCHEMBL28725262 0.82 OPRM1 (0.42) KMT2AITGB1ITGA4ACEXIAP
SCHEMBL2082150 0.81 XIAP (0.43) KMT2AITGB1ITGA4XIAPF2
SCHEMBL10646770 0.81 KMT2A (0.53) KMT2AITGB1ITGA4SORT1XIAP
SCHEMBL10646776 0.81 KMT2A (0.53) KMT2AITGB1ITGA4SORT1XIAP

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
CN-113173987-B Method for synthesizing linatide 汉肽生物医药集团有限公司 2022-11-29 — — CN claimed
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