SCHEMBL29640706

SCHEMBL29640706

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 1/20 0.45
▸ CXCL8 P10145 10/20 0.44
▸ F2R P25116 2/20 0.43
▸ CALCRL Q16602 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ EPHA2 P29317 2/20 0.40

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
SCHEMBL29379105 0.81 ACE (0.47) —
SCHEMBL30052855 0.81 ACE (0.46) NAA50
SCHEMBL23572622 0.81 CXCL8 (0.48) NAA50CXCL8
SCHEMBL23572623 0.81 CXCL8 (0.48) NAA50CXCL8
SCHEMBL23572621 0.81 CXCL8 (0.48) NAA50CXCL8
SCHEMBL30434139 0.81 ACE (0.54) F2R
SCHEMBL30987363 0.80 NMUR2 (0.41) CXCL8
SCHEMBL29511796 0.79 ACE (0.47) CXCL8CALCRL
SCHEMBL30658554 0.79 ACE (0.49) CALCRL
SCHEMBL30320536 0.79 OPRM1 (0.49) —

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-114450294-A Polypeptide with MMP2 inhibitory effect 大正制药株式会社 2022-05-06 — — CN disclosed
Send feedback