SCHEMBL8675628

SCHEMBL8675628

CS(=O)(=O)c1ccc(OCc2ccccc2)c(CCc2ccc(C(=O)O)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.48
GCK P35557 4/20 0.45
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
RXRA P19793 3/20 0.43
XDH P47989 1/20 0.42
SLC6A9 P48067 1/20 0.42
MAP4K4 O95819 1/20 0.42
RXRB P28702 1/20 0.40
RXRG P48443 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
SCHEMBL8326786 0.91 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2SLC6A9
SCHEMBL8675115 0.82 GCK (0.63) PTGER1GCKPTGER4PTGER3PTGER2
SCHEMBL8676069 0.82 PTGER1 (0.63) PTGER1GCKPTGER4PTGER3PTGER2
SCHEMBL8676600 0.77 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2SLC6A9
SCHEMBL8675829 0.76 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8324992 0.76 CCR5 (0.48) PTGER1
SCHEMBL8327493 0.76 MAPT (0.54) PTGER1PTGER4PTGER3PTGER2SLC6A9
SCHEMBL8406036 0.74 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8325607 0.74 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8327306 0.74 GCK (0.53) PTGER1GCKPTGER4PTGER3PTGER2

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed