SCHEMBL9654237

SCHEMBL9654237

COc1ccc2c(c1)c(CC(=O)OCC(N)=O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.84
PTGS1 P23219 2/20 0.84
GLO1 Q04760 2/20 0.84
HIF1A Q16665 2/20 0.84
HTR1A P08908 1/20 0.84
PKM P14618 1/20 0.84
AKR1C3 P42330 2/20 0.78
CNR2 P34972 1/20 0.78
KDM4E B2RXH2 1/20 0.73
MEN1 O00255 1/20 0.73
PTGES O14684 1/20 0.73
ABCC3 O15438 1/20 0.73
ABCC4 O15439 1/20 0.73
ABCB11 O95342 1/20 0.73
MT-CO2 P00403 1/20 0.73
LMNA P02545 1/20 0.73
ALB P02768 1/20 0.73
CYP1A2 P05177 1/20 0.73
ABCB1 P08183 1/20 0.73
ALOX5 P09917 1/20 0.73

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
Acemetacin SCHEMBL29402955 0.91 PTGS2 (1.00) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL12609003 0.91 PTGS2 (0.85) PTGS2PTGS1GLO1HIF1AHTR1A
Acemetacin SCHEMBL23843 0.91 PTGS2 (1.00) PTGS2PTGS1GLO1HIF1AHTR1A
Acemetacin SCHEMBL10910170 0.90 PTGS2 (0.98) PTGS2PTGS1GLO1HIF1AHTR1A
Acemetacin SCHEMBL5400266 0.90 PTGS2 (0.98) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL4549122 0.90 PTGS2 (1.00) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL2238173 0.90 PTGS2 (1.00) PTGS2PTGS1GLO1HIF1AAKR1C3
SCHEMBL29103945 0.90 PTGS2 (0.82) PTGS2PTGS1GLO1HIF1AHTR1A
Acemetacin SCHEMBL5306430 0.90 PTGS2 (0.96) PTGS2PTGS1GLO1HIF1AHTR1A
SCHEMBL12988768 0.89 PTGS2 (0.86) PTGS2PTGS1GLO1HIF1AHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278977-B1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS Bundgaard, Hans (DK) 1992-05-06 EP disclosed
US-5073641-A PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1991-12-17 US disclosed
EP-0278977-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS. BUNDGAARD HANS (DK) 1988-08-24 EP disclosed
WO-1988001615-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1988-03-10 WO disclosed