SCHEMBL7367455

SCHEMBL7367455

CCCCC[C@@H](C)C(CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ACE2 Q9BYF1 1/20 0.47
FFAR1 O14842 2/20 0.47
MAPT P10636 1/20 0.46
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
CA1 P00915 2/20 0.42
GRIK1 P39086 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL705934 1.00 GPR84 (0.53) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL707845 0.98 GPR84 (0.56) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL20695726 0.98 GPR84 (0.56) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL708495 0.98 GPR84 (0.56) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL708038 0.98 GPR84 (0.56) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL707104 0.94 TDP1 (0.50) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL5962561 0.86 GPR84 (0.51) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL9066908 0.86 GPR84 (0.51) GPR84TDP1ALDH1A1ACE2FFAR1
SCHEMBL706230 0.86 TDP1 (0.54) GPR84TDP1ALDH1A1GRIK1SLC1A2
SCHEMBL9588315 0.84 GPR84 (0.50) GPR84TDP1ALDH1A1ACE2FFAR1

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