SCHEMBL4965212

SCHEMBL4965212

NC(=O)C1(S(=O)(=O)C2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
HSD11B1 P28845 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ITGB7 P26010 1/20 0.31
APLNR P35414 2/20 0.31
EPHX2 P34913 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
Hydrochloric Acid SCHEMBL2370581 0.88
SCHEMBL21822839 0.86 ITGB1 (0.33) EPHX1ITGB1ITGA4
SCHEMBL1621823 0.76 ITGB1 (0.43) ITGB1ITGA4HSD11B1CA12CA1
SCHEMBL30633074 0.74 ITGB1 (0.45) ITGB1ITGA4HSD11B1CA12CA1
SCHEMBL4965234 0.74 ALDH1A1 (0.51) EPHX1ITGB1ITGA4HSD11B1CA12
SCHEMBL3682179 0.74 HPGD (0.47) HSD11B1
SCHEMBL4970937 0.73 ITGB1 (0.34) ITGB1ITGA4HSD11B1
SCHEMBL21798273 0.69 KDM4E (0.36) ITGB1ITGA4ITGB7
SCHEMBL1620736 0.67 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL7548688 0.67 CA1 (0.37) ITGB1ITGA4CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed