SCHEMBL4535317

SCHEMBL4535317

Cc1c(CC(=O)O)ccc2c1[nH]c1ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MAPK1 P28482 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
MPL P40238 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KIF11 P52732 2/20 0.47
EGFR P00533 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ERAP1 Q9NZ08 1/20 0.45

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
SCHEMBL30475436 0.84 MAPT (0.58) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL27469571 0.84 MAPT (0.58) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL8389286 0.83 MAPT (0.48) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL30475440 0.83 ERAP1 (0.59) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL30443913 0.83 GRIN2D (0.59) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL5684603 0.83 GRIN2D (0.59) MAPTKDM4EALDH1A1GAACASP1
Methane SCHEMBL3681080 0.82 MAPT (0.46) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL8389062 0.78 MPL (0.56) MAPTMAPK1NPSR1KDM4EALDH1A1
Acetic Acid SCHEMBL11537832 0.77 MPL (0.51) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL9141120 0.76 KDM4E (0.55) MAPTKDM4EALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103705496-B Positively charged water-soluble prodrugs of aryl and heteroaryl propionic acids with fast skin penetration rate 于崇曦 2017-03-01 CN claimed
CN-103705496-B Positively charged water-soluble prodrugs of aryl and heteroaryl propionic acids with fast skin penetration rate 于崇曦 2017-03-01 CN disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed