SCHEMBL1733549

SCHEMBL1733549

C[C@H](NC(=O)OC(C)(C)C)C(=O)C1NCCS1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PREP P48147 1/20 0.36
CYP2D6 P10635 1/20 0.34
GLS O94925 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GLA P06280 1/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL6168892 0.80 AAK1 (0.39) KMT2APREPCTSSCTSK
SCHEMBL4955709 0.78 CTSK (0.34) CTSSCTSK
SCHEMBL299855 0.77 ITGB3 (0.43) HDAC8CTSSCTSK
SCHEMBL3995479 0.75 KMT2A (0.41) KMT2ACA1CA2CA7PREP
SCHEMBL10508117 0.74 MAPK1 (0.33)
SCHEMBL27243979 0.72 KMT2A (0.56) KMT2ACA1CA2CA7CYP2D6
SCHEMBL12767863 0.72 KMT2A (0.56) KMT2ACA1CA2CA7CYP2D6
SCHEMBL15081293 0.72 KMT2A (0.56) KMT2ACA1CA2CA7CYP2D6
SCHEMBL25430553 0.70 MAPT (0.46)
SCHEMBL20470278 0.70 KMT2A (0.50) KMT2ACA1CA2CA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349576-B1 COMBINED USE OF ENZYME INHIBITORS FOR THE TREATMENT AND PREVENTION OF ALLERGIC REACTIONS OF TYPE I ACCORDING TO THE GELL AND COOMBS CLASSIFICATION, AND FOR THE TREATMENT AND PREVENTION OF DERMATOLOGICAL DISEASES ASSOCIATED WITH FOLLICULAR AND EPIDERMAL HYPERKERATOSIS AND REINFORCED KERATINOCYTE PROLIFERATION IMTM GMBH (DE) 2011-11-23 EP disclosed
US-7485626-B2 Combinations of enzyme inhibitor-containing preparations and the use thereof IMTM GMBH (DE) 2009-02-03 US disclosed
EP-1289559-B8 COMBINATIONS OF ENZYME INHIBITOR-CONTAINING PREPARATIONS AND THE USE THEREOF IMTM GMBH (DE) 2005-09-28 EP disclosed
EP-1289559-B1 COMBINATIONS OF ENZYME INHIBITOR-CONTAINING PREPARATIONS AND THE USE THEREOF INST MEDIZINTECHNOLOGIE MAGDEB (DE) 2005-07-27 EP disclosed
US-20050014699-A1 Combinations of enzyme inhibitor-containing preparations and the use thereof IMTM GMBH (DE) 2005-01-20 US disclosed
EP-1349576-A2 COMBINED USE OF ENZYME INHIBITORS AND PHARMACEUTICAL PREPARATIONS THEREOF FOR THE TREATMENT AND PROPHYLAXIS OF ARTERIOSCLEROSIS, FOR THE TREATMENT AND PREVENTION OF ALLERGIC REACTIONS OF TYPE I ACCORDING TO THE GELL AND COOMBS CLASSIFICATION, AND FOR THE TREATMENT AND PREVENTION OF DERMATOLOGICAL DI Institut für Medizintechnologie Magdeburg GmbH IMTM. (DE) 2003-10-08 EP disclosed
EP-1289559-A1 COMBINATIONS OF ENZYME INHIBITOR-CONTAINING PREPARATIONS AND THE USE THEREOF Institut für Medizintechnologie Magdeburg GmbH IMTM. (DE) 2003-03-12 EP disclosed
WO-2002053170-A2 COMBINED USE OF ENZYME INHIBITORS AND PHARMACEUTICAL PREPARATIONS THEREOF FOR THE TREATMENT AND PROPHYLAXIS OF ARTERIOSCLEROSIS, FOR THE TREATMENT AND PREVENTION OF ALLERGIC REACTIONS OF TYPE I ACCORDING TO THE GELL AND COOMBS CLASSIFICATION, AND FOR THE TREATMENT AND PREVENTION OF DERMATOLOGICAL DISEASES ASSOCIATED WITH FO INSTITUT FÜR MEDIZINTECHNOLOGIE MAGDEBURG GMBH (IMTM) (DE) 2002-07-11 WO disclosed
WO-2001089569-A1 COMBINATIONS OF ENZYME INHIBITOR-CONTAINING PREPARATIONS AND THE USE THEREOF INSTITUT FÜR MEDIZINTECHNOLOGIE MAGDEBURG GMBH IMTM (DE) 2001-11-29 WO disclosed