SCHEMBL7933092

SCHEMBL7933092

COc1cccc2[nH]c(C)c(CC(=O)O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 6/20 0.56
GAA P10253 5/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
SLC2A1 P11166 1/20 0.54
AKR1C2 P52895 1/20 0.52
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL18509726 0.86 SLC2A1 (0.55) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL7965141 0.85 SLC2A1 (0.54) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL2009406 0.81 KDM4E (0.60) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL3566658 0.81 AKR1C2 (0.53) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL3001361 0.81 AKR1C2 (0.53) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL2003508 0.81 AKR1C2 (0.53) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL18029380 0.80 SLC2A1 (0.49) KDM4EMAPTALDH1A1SLC2A1CYP1A2
SCHEMBL31370393 0.80 SLC2A1 (0.49) KDM4EMAPTALDH1A1SLC2A1CYP1A2
SCHEMBL7964644 0.80 SLC2A1 (0.44) KDM4EMAPTALDH1A1GAACASP1
SCHEMBL598456 0.79 KDM4E (0.59) KDM4EMAPTALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN claimed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO disclosed
US-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 EP disclosed
US-4464363-A HYDROXY ARYL- OR HYDROXY ARALKYL ACIDS OR SALTS MERCK & CO., INC. (US) 1984-08-07 US disclosed