SCHEMBL13258705

SCHEMBL13258705

C=[N+]([O-])c1cccc(C(=O)Oc2ccc(CN3CC(C(=O)O)C3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 19/20 0.49
S1PR1 P21453 15/20 0.49
PDGFRA P16234 1/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GRK5 P34947 1/20 0.45
CDK8 P49336 1/20 0.45
S1PR3 Q99500 4/20 0.44

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
SCHEMBL13220850 0.91 S1PR5 (0.50) S1PR5S1PR1PDGFRAHTR2AKCNH2
SCHEMBL3045265 0.80 PKM (0.53) S1PR5S1PR1S1PR3
SCHEMBL3041986 0.72 PDCD1 (0.57) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL13258706 0.72 MAPT (0.55)
SCHEMBL3033578 0.71 S1PR5 (0.71) S1PR5S1PR1PDGFRAHTR2AKCNH2
SCHEMBL3039936 0.70 S1PR5 (0.81) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL15532870 0.68 S1PR5 (0.69) S1PR5S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL3041565 0.68 S1PR5 (0.76) S1PR5S1PR1PDGFRAHTR2AKCNH2
SCHEMBL565212 0.67 S1PR5 (0.87) S1PR5S1PR1GRK5CDK8S1PR3
SCHEMBL31395097 0.67 S1PR5 (0.70) S1PR5S1PR1PDGFRAGRK5CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed