SCHEMBL11615788

SCHEMBL11615788

COc1ccc2c(c1)c(CC(=O)OC(OC(C)=O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.73
▸ AKR1C3 P42330 2/20 0.69
▸ CNR2 P34972 1/20 0.69
▸ PTGS1 P23219 3/20 0.68
▸ GLO1 Q04760 2/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ PTGES O14684 1/20 0.68
▸ ABCC3 O15438 1/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ MT-CO2 P00403 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ALB P02768 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ ABCB1 P08183 1/20 0.68
▸ ALOX5 P09917 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ CXCL8 P10145 1/20 0.68

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
SCHEMBL11612929 0.94 LMNA (0.68) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL29373123 0.89 PTGS2 (0.80) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL11613881 0.88 LMNA (0.58) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL31262996 0.86 PTGS2 (0.72) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL2739299 0.85 PTGS2 (1.00) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL29454436 0.84 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL150556 0.84 PTGS2 (0.74) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL11405394 0.84 PTGS2 (0.74) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL150555 0.84 PTGS2 (0.74) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL11827594 0.84 PTGS2 (0.74) PTGS2AKR1C3CNR2PTGS1GLO1

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
US-4104278-A Process for the production of compounds with antiphlogistic activity TROPONWERKE DINKLAGE & CO. (DE) 1978-08-01 — — US disclosed
US-3966956-A [1-(P-Chlorobenzoyl)-5-methoxy-2-methyl-3-indole]acetoxyacetic acid and salts in treating inflammation TROPONWERKE DINKLAGE & COMPANY (DT) 1976-06-29 — — US disclosed
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