SCHEMBL1014662

SCHEMBL1014662

CC(C)C[C@@H](C=O)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.44
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
CTSK P43235 4/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8586811 0.93 CTSB (0.47) CTSBANPEPRNPEPDNPEPCTSK
SCHEMBL8584909 0.89 CTSB (0.44) CTSBANPEPRNPEPDNPEPCTSK
SCHEMBL3667251 0.89 CTSK (0.42) CTSBCTSKCTSSCTSLALDH1A1
SCHEMBL724546 0.88 CTSK (0.46) CTSBCTSKCTSSCTSLPSMB1
SCHEMBL8584242 0.87 CTSL (0.44) CTSBANPEPRNPEPDNPEPCTSK
SCHEMBL19400126 0.84 CTSK (0.56) CTSBCTSKCTSSCTSLPSMB1
SCHEMBL26910148 0.84 CTSK (0.56) CTSBCTSKCTSSCTSLPSMB1
SCHEMBL28288627 0.84 CTSK (0.56) CTSBCTSKCTSSCTSLPSMB1
Hydrochloric Acid SCHEMBL11145585 0.83 NPY4R (0.41) CTSBPSMB1PSMB5PSMB2
SCHEMBL7420644 0.82 ANPEP (0.43) CTSBANPEPRNPEPDNPEPCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9128081-B2 TDP-43-storing cell model TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2015-09-08 US disclosed
EP-2272955-B1 TDP-43-STORING CELL MODEL TOKYO METROPOLITAN INST MEDICAL SCIENCE (JP) 2015-08-26 EP disclosed
US-8715643-B2 TDP-43-storing cell model TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-05-06 US disclosed
US-20140099660-A1 TDP-43-STORING CELL MODEL TOKYO METROPOLITIAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-04-10 US disclosed
US-20110034447-A1 TDP-43-STORING CELL MODEL TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2011-02-10 US disclosed
EP-2272955-A1 TDP-43-STORING CELL MODEL Tokyo Metropolitan Organization for Medical Research (JP) 2011-01-12 EP disclosed
WO-2010034863-A1 USE OF KINASE INHIBITORS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON’S DISEASE, PHARMACEUTICAL COMPOSITIONS AND DIAGNOSTIC PROCEDURE FOR PARKINSON’S DISEASE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2010-04-01 WO disclosed
EP-1153612-A1 ANTICANCER AGENT POTENTIATORS Tsuruo, Takashi (US) 2001-11-14 EP disclosed