SCHEMBL7928536

SCHEMBL7928536

COc1ccc(Cc2ccc3ccccc3c2)c(C=CC(=O)NS(=O)(=O)c2cc(Br)ccc2OC)c1.[NaH]

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 11/20 0.84
PTGER4 P35408 6/20 0.84
PTGER1 P34995 4/20 0.84
DRD3 P35462 1/20 0.84
PTGER2 P43116 4/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
RAPGEF3 O95398 1/20 0.44
HDAC8 Q9BY41 3/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGFR P43088 1/20 0.41
PTGDR Q13258 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7928529 1.00 PTGER3 (0.84) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7929853 0.99 PTGER3 (0.86) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7929856 0.99 PTGER3 (0.86) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7928538 0.98 PTGER3 (0.84) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651946 0.92 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651935 0.92 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29988642 0.92 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29376849 0.92 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29663670 0.92 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL1061876 0.91 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2

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
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed