SCHEMBL29630752

SCHEMBL29630752

O=C(O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.48
NTSR2 O95665 1/20 0.47
KLK7 P49862 4/20 0.45
SRC P12931 1/20 0.44
REN P00797 1/20 0.43

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
SCHEMBL30567412 0.99 CTSC (0.49) CTSCNTSR2KLK7SRCREN
SCHEMBL29630411 0.94 ENPEP (0.46) CTSCNTSR2KLK7SRCREN
SCHEMBL30310095 0.92 CTSC (0.58) CTSCKLK7REN
SCHEMBL33721998 0.91 CTSC (0.57) CTSCREN
SCHEMBL31206265 0.91 CTSC (0.57) CTSCREN
SCHEMBL29706129 0.90 CTSC (0.59) CTSCKLK7REN
SCHEMBL30367577 0.90 KMT2A (0.51) CTSCNTSR2KLK7SRCREN
SCHEMBL30953561 0.90 KLK7 (0.45) CTSCNTSR2KLK7SRCREN
SCHEMBL29630432 0.89 TERT (0.48) CTSC
SCHEMBL6367397 0.89 CTSC (0.56) CTSCNTSR2KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed