SCHEMBL7366153

SCHEMBL7366153

CC(C)(COCc1ccccc1)OC(=O)CCC(=O)OC(C)(C)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
PPARA Q07869 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PTPRB P23467 1/20 0.39
CTSS P25774 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 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
SCHEMBL7334052 0.84 ALDH1A1 (0.51) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL6669107 0.80 KDM4E (0.43) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL29360497 0.79 ALDH1A1 (0.50) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL1691754 0.78 KDM4E (0.53) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL16672795 0.77 L3MBTL1 (0.53) TSHRALDH1A1L3MBTL1MAPK1PPARA
SCHEMBL6623308 0.77 ALDH1A1 (0.48) KDM4EPOLBALDH1A1L3MBTL1MAPK1
SCHEMBL6669101 0.77 KDM4E (0.40) KDM4EPOLBALDH1A1L3MBTL1LMNA
SCHEMBL3545416 0.76 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL17709304 0.76 ALDH1A1 (0.53) KDM4EPOLBTSHRALDH1A1L3MBTL1
SCHEMBL31397663 0.76 KDM4E (0.51) KDM4EPOLBTSHRALDH1A1L3MBTL1

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
US-6307101-B1 AMIDES SUBSTITUTED WITH MERCAPTOALCOHOL OR MERCAPTOKETONE GROUPS CAMPBELL DAVID A (US) 2001-10-23 US disclosed
EP-0832100-B1 NOVEL INHIBITORS OF METALLOPROTEASES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AFFYMAX TECH NV (AN) 2000-04-05 EP disclosed
US-5929278-A Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use AFFYMAX TECHNOLOGIES N.V. (GB) 1999-07-27 US disclosed
US-5840698-A ENZYME INHIBITORS OF MERCAPTOKETONES AND MERCAPTOALCOHOLS FOR CONTROLLING DISEASES OF TISSUE BREAKDOWN, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS OR ANTITUMOR AGENTS AFFYMAX TECHNOLOGIES N.V. (GB) 1998-11-24 US disclosed
US-5831004-A Inhibitors of metalloproteases, pharmaceutical compositions comprising same and methods of their use AFFYMAX TECHNOLOGIES N.V. (GB) 1998-11-03 US disclosed
EP-0832100-A4 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECH NV (AN) 1998-09-02 EP disclosed
EP-0832100-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES N.V. (AN) 1998-04-01 EP disclosed
WO-1996040204-A1 NOVEL INHIBITORS OF COLLAGENASE-1 AND STROMELYSIN-I METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO disclosed
WO-1996040738-A1 NOVEL INHIBITORS OF METALLOPROTEASES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AND METHODS OF THEIR USE AFFYMAX TECHNOLOGIES, N.V. (AN) 1996-12-19 WO disclosed