SCHEMBL4220548

SCHEMBL4220548

CCC(O)C(CC)(C(=O)O)N1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
DPP4 P27487 1/20 0.40
RIPK1 Q13546 2/20 0.38
HSP90AA1 P07900 2/20 0.38
NOTUM Q6P988 1/20 0.38
NAMPT P43490 8/20 0.37
HSP90AB1 P08238 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
CARM1 Q86X55 1/20 0.34

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
SCHEMBL4219109 0.78 GRIN1 (0.33) RAB9A
SCHEMBL31292095 0.70 NOTUM (0.50) RIPK1HSP90AA1NOTUMNAMPTHSP90AB1
SCHEMBL20609569 0.64 ALDH1A1 (0.42) RIPK1HSP90AA1NOTUMNAMPTHSP90AB1
SCHEMBL20609581 0.64 RIPK1 (0.41) RIPK1HSP90AA1NOTUMNAMPTHSP90AB1
Benzoic Acid SCHEMBL1071213 0.64 TSHR (0.48) RAB9A
SCHEMBL27314978 0.63 GRIN1 (0.45)
Trifluoroacetic Acid SCHEMBL31197675 0.63 NOTUM (0.42) DPP8DPP9DPP7DPP4RIPK1
SCHEMBL10472848 0.62 GRIN1 (0.44)
SCHEMBL12571109 0.62 DPP8 (0.67) DPP8DPP9DPP7DPP4HSP90AA1
SCHEMBL416117 0.61 GRIN1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed