SCHEMBL10909072

SCHEMBL10909072

COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.83
HIF1A Q16665 3/20 0.83
PTGS1 P23219 2/20 0.83
GLO1 Q04760 2/20 0.83
HTR1A P08908 1/20 0.83
PKM P14618 1/20 0.83
LMNA P02545 2/20 0.80
CYP1A2 P05177 2/20 0.80
CYP2D6 P10635 2/20 0.80
CYP2C9 P11712 2/20 0.80
NPSR1 Q6W5P4 2/20 0.80
TSHR P16473 1/20 0.80
NFKB1 P19838 1/20 0.80
PLA2G2A P14555 1/20 0.74
AKR1C3 P42330 9/20 0.71
AKR1C2 P52895 7/20 0.71
AKR1C4 P17516 2/20 0.66
AKR1C1 Q04828 2/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66

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
SCHEMBL13802251 0.92 PTGS2 (0.84) PTGS2HIF1APTGS1GLO1HTR1A
SCHEMBL10519250 0.91 PTGS2 (0.82) PTGS2HIF1APTGS1GLO1HTR1A
Acemetacin SCHEMBL23843 0.91 PTGS2 (1.00) PTGS2HIF1APTGS1GLO1HTR1A
Acemetacin SCHEMBL29402955 0.91 PTGS2 (1.00) PTGS2HIF1APTGS1GLO1HTR1A
SCHEMBL10515741 0.90 PTGS2 (0.72) PTGS2HIF1APTGS1GLO1HTR1A
Acemetacin SCHEMBL10910170 0.90 PTGS2 (0.98) PTGS2HIF1APTGS1GLO1HTR1A
Acemetacin SCHEMBL5400266 0.90 PTGS2 (0.98) PTGS2HIF1APTGS1GLO1HTR1A
Acemetacin SCHEMBL5306430 0.89 PTGS2 (0.96) PTGS2HIF1APTGS1GLO1HTR1A
SCHEMBL1082631 0.89 HIF1A (1.00) PTGS2HIF1APTGS1GLO1HTR1A
SCHEMBL10516272 0.88 AKR1C3 (0.82) PTGS2HIF1APTGS1GLO1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332727-A BY CYCLIZING THE CORRESPONDING HYDRAZONE TROPONWERKE GMBH & CO. KG (DE) 1982-06-01 US claimed
US-4585880-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1986-04-29 US disclosed
US-4477677-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1984-10-16 US disclosed
US-4459415-A Process for the preparation of 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetoxyacetic acid TROPONWERKE GMBH & CO. KG (DE) 1984-07-10 US disclosed
US-4332727-A BY CYCLIZING THE CORRESPONDING HYDRAZONE TROPONWERKE GMBH & CO. KG (DE) 1982-06-01 US disclosed
US-4332727-A BY CYCLIZING THE CORRESPONDING HYDRAZONE TROPONWERKE GMBH & CO. KG (DE) 1982-06-01 US disclosed