SCHEMBL7396136

SCHEMBL7396136

O=CC(O)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.35
DNMT1 P26358 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6367382 0.76 KIF11 (0.39) KIF11CYP1A2
SCHEMBL25175304 0.74 KIF11 (0.35) KIF11DNMT1
SCHEMBL1233527 0.73 KIF11 (0.42) KIF11DNMT1CYP1A2
SCHEMBL8853209 0.72 CYP2D6 (0.39) KIF11CYP1A2
SCHEMBL6363063 0.72 KIF11 (0.36) KIF11
SCHEMBL23539978 0.69 CYP2D6 (0.37) KIF11CYP1A2
SCHEMBL18704761 0.68 KIF11 (0.36) KIF11DNMT1CYP1A2
SCHEMBL358276 0.68 KIF11 (0.46) KIF11DNMT1CYP1A2
SCHEMBL18585972 0.68 KIF11 (0.50) KIF11DNMT1
SCHEMBL3188902 0.67 KIF11 (0.39) KIF11

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