SCHEMBL5049079

SCHEMBL5049079

CCS(=O)(=O)c1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGS2 P35354 3/20 0.48
PTGS1 P23219 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KIF11 P52732 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47

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
SCHEMBL5133527 1.00 PSIP1 (0.52) PSIP1GAAALDH1A1MMP2MMP9
SCHEMBL198600 0.93 PSIP1 (0.58) PSIP1GAAALDH1A1MMP2MMP9
SCHEMBL15899648 0.86 MMP2 (0.50) GAAALDH1A1MMP2MMP9NPC1
SCHEMBL8993420 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6197202 0.81 PTGS2 (0.72) GAAMMP2MMP9PTGDR2NPC1
SCHEMBL10455034 0.81 PSIP1 (0.74) PSIP1GAAALDH1A1CYP3A4MEN1
SCHEMBL5048802 0.80 AHR (0.52) PSIP1GAAPTGDR2CYP3A4PTGS2
SCHEMBL293991 0.80 PSIP1 (0.74) PSIP1GAAMMP2MMP9CYP3A4
SCHEMBL5134257 0.80 PSIP1 (0.74) PSIP1GAAMMP2MMP9CYP3A4
SCHEMBL9471604 0.79 MLNR (0.60) ALDH1A1PTGDR2NPC1CYP3A4MAPK1

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-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed