SCHEMBL4641124

SCHEMBL4641124

CC(C)(C)OC(=O)[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
CTSK P43235 8/20 0.56
CTSS P25774 5/20 0.55
CTSL P07711 3/20 0.55
CTSB P07858 2/20 0.55
PSMB5 P28074 1/20 0.54
PPARA Q07869 1/20 0.53
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TACR1 P25103 2/20 0.50
KYNU Q16719 1/20 0.50

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
SCHEMBL6320951 1.00 SYK (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL2677162 1.00 SYK (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL376154 0.90 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL995705 0.90 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL2619553 0.90 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL1562695 0.89 PPARA (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL7172323 0.89 PPARA (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL19485480 0.89 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL21340066 0.89 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL13688643 0.89 SYK (0.66) SYKCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
EP-0839155-B1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES MEDIVIR UK LTD (GB) 2004-10-13 EP disclosed
CN-1495184-A Substituted purine derivative, its preparation method, application and composition containing it �ճ�˹�عɷݹ�˾ 2004-05-12 CN disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
CN-1101816-C Substituted purine derivatives, their preparation, their use and compositions containing them HOECHST AG (DE) 2003-02-19 CN disclosed
US-6034066-A ANTIALLERGENS PEPTIDE THERAPEUTICS LIMITED (GB) 2000-03-07 US disclosed
CN-1193623-A Substituted purine derivatives, their preparation, their use and compositions containing them HOECHST AG (DE) 1998-09-23 CN disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 EP disclosed
EP-0839155-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1998-05-06 EP disclosed
WO-1997004004-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1997-02-06 WO disclosed