SCHEMBL30118074

SCHEMBL30118074

NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.56
▸ BACE1 P56817 7/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.50
▸ GNPAT O15228 1/20 0.50
▸ CTSD P07339 1/20 0.50
▸ MME P08473 2/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL31018950 0.99 MMP2 (0.57) MMP2BACE1BACE2CTSDMME
SCHEMBL30974003 0.97 MMP2 (0.58) MMP2BACE1BACE2GNPATCTSD
SCHEMBL31167399 0.97 MMP2 (0.57) MMP2GNPATMMEOPRK1
SCHEMBL31167406 0.97 MMP2 (0.57) MMP2GNPATMMEOPRK1
SCHEMBL29531290 0.94 MMP2 (0.62) MMP2GNPATMMEOPRK1
SCHEMBL29689355 0.94 MMP2 (0.62) MMP2GNPATMMEOPRK1
SCHEMBL29539550 0.94 MMP2 (0.62) MMP2GNPATMMEOPRK1
SCHEMBL29376846 0.94 MMP2 (0.62) MMP2GNPATMMEOPRK1
SCHEMBL13296501 0.93 BACE1 (0.54) MMP2BACE1BACE2CTSD
SCHEMBL30688836 0.92 MMP2 (0.58) MMP2BACE1BACE2CTSDNAALAD2

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
US-11530240-B2 Catheter injectable cyclic peptide pro-gelators for myocardial tissue engineering THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
Send feedback