SCHEMBL6089635

SCHEMBL6089635

Cc1cccc(COC(C)(c2c[nH]cn2)c2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.34
GPBAR1 Q8TDU6 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX5AP P20292 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
AHR P35869 1/20 0.31

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
SCHEMBL6089336 0.88 ALDH1A1 (0.35) CYSLTR1MAPTSMN1; SMN2SSTR4ALDH1A1
SCHEMBL4848684 0.69 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089645 0.69 CYSLTR1 (0.39) CYSLTR1GPBAR1MAPTALDH1A1L3MBTL1
SCHEMBL5725146 0.68 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089331 0.67 CYSLTR1 (0.36) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4848359 0.66 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4841446 0.66 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850064 0.66 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090336 0.65 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089447 0.65 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed