SCHEMBL5048802

SCHEMBL5048802

CCS(=O)(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
APEX1 P27695 1/20 0.49
JAK2 O60674 1/20 0.48
PTGS2 P35354 3/20 0.47
SCN9A Q15858 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
KIF11 P52732 1/20 0.46
PSIP1 O75475 2/20 0.45
CYP1B1 Q16678 1/20 0.45
RORC P51449 2/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
PTGS1 P23219 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL13601374 0.84 MAPK1 (0.48) APEX1GAAPSIP1PTGDR2
SCHEMBL8993402 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5049079 0.80 PSIP1 (0.52) PTGS2CYP3A4GAAKIF11PSIP1
SCHEMBL5133527 0.80 PSIP1 (0.52) PTGS2CYP3A4GAAKIF11PSIP1
SCHEMBL1019304 0.79 AHR (0.58) AHRAPEX1PTGS2SCN9ACYP1B1
SCHEMBL4659404 0.77 AHR (0.56) AHRAPEX1PTGS2SCN9ACYP1B1
SCHEMBL14330021 0.75 APEX1 (0.38) AHRAPEX1PTGS2SCN9ACYP3A4
SCHEMBL27450708 0.75 RORC (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10455034 0.74 PSIP1 (0.74) JAK2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL29563539 0.74 PSIP1 (0.50) GAAPSIP1RORCPTGDR2

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