SCHEMBL2599525

SCHEMBL2599525

CCCCc1ccc(S(=O)(=O)O)c(-c2cccc(-c3cc(Br)ccc3OCc3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.44
PTGER4 P35408 5/20 0.41
PTGER3 P43115 5/20 0.41
PTGER2 P43116 5/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP2C9 P11712 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL2599538 0.85 PTGER1 (0.46) PTGER1CYP2C9MTNR1AMTNR1BCCR5
SCHEMBL1355002 0.77 PTGDR2 (0.52) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL2599539 0.74 PTGER1 (0.45) PTGER1CYP2C9CCR5
SCHEMBL11297454 0.74 PTGER1 (0.45) PTGER1CYP2C9CCR5
SCHEMBL1783946 0.73 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL27490007 0.73 CCR5 (0.45) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL9219612 0.73 CHRM2 (0.43) PTGER1CCR5
SCHEMBL11301144 0.72 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL27507227 0.72 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL11297633 0.72 PTGDR2 (0.63) PTGER1PTGDR2CYP2C9CCR5

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-2011145019-A1 IMPROVED PROCESS FOR DIPHENYLPROPYLAMINE DERIVATIVES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-11-24 WO disclosed