SCHEMBL5035015

SCHEMBL5035015

CCCCCC(C(N)=O)C(C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 1/20 0.45
EPHX1 P07099 1/20 0.44
TP53 P04637 1/20 0.44
OPRM1 P35372 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 5/20 0.41
SPHK1 Q9NYA1 1/20 0.41
FFAR1 O14842 1/20 0.41
LAP3 P28838 2/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
GRIK1 P39086 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL27728959 0.98 EPHX1 (0.47) CA1CA2EPHX1TP53OPRM1
SCHEMBL2585299 0.94 CA2 (0.52) CA1CA2EPHX1TP53SLC1A2
SCHEMBL4023785 0.85 CA1 (0.47) CA1CA2EPHX1TP53OPRM1
SCHEMBL14546504 0.85 CA1 (0.40) CA1CA2EPHX1GRIK1SLC1A2
SCHEMBL15416197 0.85 CA1 (0.40) CA1CA2EPHX1GRIK1SLC1A2
SCHEMBL15329288 0.85 MAPT (0.54) CA1CA2EPHX1ACE2GPR84
SCHEMBL7183545 0.83 EPHX1 (0.48) CA1CA2EPHX1TP53OPRM1
SCHEMBL21670103 0.83 EPHX1 (0.48) CA1CA2EPHX1TP53OPRM1
SCHEMBL31560160 0.83 EPHX1 (0.48) CA1CA2EPHX1TP53OPRM1
SCHEMBL16393900 0.83 EPHX1 (0.48) CA1CA2EPHX1TP53OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP claimed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP claimed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO claimed
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed