SCHEMBL7922145

SCHEMBL7922145

O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 1.00
PTGER2 P43116 8/20 1.00
PTGDR Q13258 5/20 1.00
PTGER4 P35408 5/20 1.00
TBXA2R P21731 4/20 1.00
PTGER1 P34995 4/20 1.00
PTGFR P43088 3/20 1.00
PTGIR P43119 2/20 1.00
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
PDPK1 O15530 1/20 0.45
ATM Q13315 1/20 0.44
EGFR P00533 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
PLA2G1B P04054 1/20 0.44
MAPT P10636 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL7922149 1.00 PTGER3 (1.00) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7928608 0.85 PTGER3 (0.74) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7928609 0.85 PTGER3 (0.74) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL157606 0.82 PTGER3 (0.73) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7922115 0.82 PTGER3 (1.00) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7922112 0.82 PTGER3 (1.00) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7651963 0.78 PTGER3 (0.66) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7770395 0.77 PTGER3 (0.62) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7929810 0.75 PTGER3 (1.00) PTGER3PTGER2PTGDRPTGER4TBXA2R
SCHEMBL7929816 0.75 PTGER3 (1.00) PTGER3PTGER2PTGDRPTGER4TBXA2R

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