SCHEMBL30582697

SCHEMBL30582697

CC[C@H](C)[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ TLR2 O60603 2/20 0.44
▸ CASP3 P42574 3/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL31546963 0.91 KMT2A (0.57) KMT2ATLR2CASP3MDM4TP53
SCHEMBL30896048 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL1486214 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL1486287 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL118209 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL1564185 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL6038102 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL119497 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL30896049 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4
SCHEMBL29398684 0.87 CASP3 (0.52) KMT2ACASP3CYP2C9CYP2C19MDM4

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-113655131-B Fmoc-Ile-OH related substance detection method 吉尔多肽生物制药(大连市)有限公司 2023-09-29 — — CN disclosed
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