SCHEMBL5808233

SCHEMBL5808233

CCCCNS(=O)(=O)c1ccc2oc3c(OC(F)F)ccc(C(=O)O)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PNMT P11086 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL5807685 0.85 HTT (0.41) PDE4DMAPK1LMNAHTTPOLB
SCHEMBL5797163 0.84 PDE4D (0.47) PDE4DPOLBHPGDHSD17B10NPSR1
Hydrochloric Acid SCHEMBL5809789 0.83 PDE4D (0.47) PDE4DPOLBHPGDHSD17B10NPSR1
SCHEMBL5822481 0.81 ALDH1A1 (0.47) PDE4DLMNAPOLBGAAALDH1A1
Hydrochloric Acid SCHEMBL5812436 0.80 ALDH1A1 (0.46) PDE4DLMNAPOLBGAAALDH1A1
SCHEMBL5809786 0.77 PDE4D (0.51) PDE4DGAAALDH1A1MAPTMEN1
SCHEMBL3306175 0.76 PDE4D (0.69) PDE4DLMNAPOLBHPGDHSD17B10
SCHEMBL1301737 0.73 MAOA (0.43) PDE4DLMNAHTTCA12CA9
SCHEMBL5812432 0.73 PDE4D (0.47) PDE4DMAPK1POLBGAAALDH1A1
SCHEMBL5016499 0.72 PDE4D (0.46) PDE4DLMNAHTTHPGDHSD17B10

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-2006051390-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-05-18 WO disclosed