SCHEMBL29706129

SCHEMBL29706129

O=C(O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.59
REN P00797 1/20 0.50
MME P08473 3/20 0.49
EED O75530 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GHSR Q92847 1/20 0.45
KLK7 P49862 1/20 0.45
PSMB5 P28074 2/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL30310095 0.99 CTSC (0.58) CTSCRENMMEEEDLMNA
SCHEMBL30553112 0.96 CTSC (0.59) CTSCRENMMELMNATDP1
SCHEMBL29702042 0.94 CTSC (0.63) CTSCRENMMELMNATDP1
SCHEMBL30546877 0.94 CTSC (0.63) CTSCRENMMELMNATDP1
SCHEMBL29701979 0.94 CTSC (0.63) CTSCRENMMELMNATDP1
SCHEMBL30567412 0.91 CTSC (0.49) CTSCRENKLK7
SCHEMBL29630752 0.90 CTSC (0.48) CTSCRENKLK7
SCHEMBL30517397 0.90 CTSC (0.58) CTSCRENMMEEEDLMNA
SCHEMBL14903320 0.90 CTSC (0.52) CTSCRENMMEEEDGHSR
SCHEMBL14903448 0.90 CTSC (0.52) CTSCRENMMEEEDGHSR

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
CN-116284255-A Targeting polypeptide compound for early colorectal tumor and application 中国医学科学院药物研究所 2023-06-23 CN disclosed
CN-110041400-B Polypeptide and application thereof in early diagnosis of colorectal cancer 中国医学科学院药物研究所 2022-07-29 CN disclosed