SCHEMBL19794

SCHEMBL19794

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.52
BACE2 Q9Y5Z0 4/20 0.52
CTSD P07339 2/20 0.48
PTPN1 P18031 2/20 0.48
ENPEP Q07075 5/20 0.46

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
SCHEMBL18293548 0.94 ENPEP (0.48) BACE1BACE2CTSDPTPN1ENPEP
SCHEMBL5194261 0.91 ENPEP (0.55) BACE1BACE2CTSDENPEP
SCHEMBL31089740 0.91 ENPEP (0.55) BACE1BACE2CTSDENPEP
SCHEMBL31315589 0.88 BACE1 (0.47) BACE1BACE2CTSDENPEP
SCHEMBL29904046 0.88 BACE1 (0.51) BACE1BACE2CTSDENPEP
SCHEMBL1674822 0.87 BACE1 (0.47) BACE1BACE2CTSDPTPN1ENPEP
SCHEMBL29873747 0.87 ENPEP (0.52) BACE1BACE2CTSDENPEP
SCHEMBL28605707 0.87 BACE1 (0.47) BACE1BACE2CTSDPTPN1ENPEP
SCHEMBL14093759 0.87 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL31468688 0.87 BACE1 (0.46) BACE1BACE2CTSDENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430031-B1 PEPTIDES WITH ANTI-CANCER ACTIVITY IDP DISCOVERY PHARMA S L (ES) 2021-10-20 EP disclosed
EP-3430031-A1 PEPTIDES WITH ANTI-CANCER ACTIVITY IDP Discovery Pharma, S.L. (ES) 2019-01-23 EP disclosed
EP-3400445-A1 METHOD OF IDENTIFYING NOVEL PROTEIN AGGREGATION INHIBITORS BASED ON CHEMICAL KINETICS Cambridge Enterprise Limited (GB) 2018-11-14 EP disclosed
WO-2017157990-A1 PEPTIDES WITH ANTI-CANCER ACTIVITY IDP DISCOVERY PHARMA, S.L. (ES) 2017-09-21 WO disclosed
WO-2017118841-A1 METHOD OF IDENTIFYING NOVEL PROTEIN AGGREGATION INHIBITORS BASED ON CHEMICAL KINETICS CAMBRIDGE ENTERPRISE LIMITED (GB) 2017-07-13 WO disclosed
WO-2012024784-A1 CELL-PROTECTIVE PEPTIDES AND USES THEREOF UNIVERSITY OF TORONTO (CA) 2012-03-01 WO disclosed