SCHEMBL30487449

SCHEMBL30487449

O=C(CNC(=O)[C@@H]1CCCN1)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.57
TERT O14746 1/20 0.53
HTR2C P28335 3/20 0.50
HTR2B P41595 2/20 0.50
EPHX2 P34913 2/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL30052990 1.00 CTSC (0.57) CTSCTERTHTR2CHTR2BEPHX2
SCHEMBL20415585 0.91 TERT (0.51) CTSCTERTHTR2CHTR2BEPHX2
SCHEMBL29630395 0.91 CTSC (0.51) CTSCTERTHTR2CHTR2B
SCHEMBL464708 0.90 CTSC (0.48) CTSCTERT
SCHEMBL29630612 0.89 CTSC (0.53) CTSCTERTHTR2CHTR2BKDM4E
SCHEMBL29630530 0.89 CTSC (0.51) CTSCTERTHTR2CHTR2B
SCHEMBL30487484 0.88 HTR2C (0.53) CTSCTERTHTR2CHTR2BKDM4E
SCHEMBL601567 0.88 CTSC (0.68) CTSCHTR2CHTR2BLMNATDP1
SCHEMBL21808154 0.88 CTSC (0.68) CTSCHTR2CHTR2BLMNATDP1
SCHEMBL28122659 0.88 CTSC (0.68) CTSCHTR2CHTR2BLMNATDP1

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-116836224-A Tetrapeptide compound TP-5, and preparation method and application thereof 兰州大学 2023-10-03 CN disclosed
CN-116574155-A Tetrapeptide compound TP-4, preparation method and application 兰州大学 2023-08-11 CN disclosed
CN-116535462-A Tetrapeptide compound TP-6, and preparation method and application thereof 兰州大学 2023-08-04 CN disclosed
CN-116535461-A Tetrapeptide compound TP-3, preparation method and application 兰州大学 2023-08-04 CN disclosed