SCHEMBL4339301

SCHEMBL4339301

CC(C)OC(Cc1cccc(CCCOc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.54
PPARG P37231 6/20 0.47
PPARD Q03181 2/20 0.47
HPGD P15428 4/20 0.47
NLRP1 Q9C000 1/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL4341219 0.89 PPARA (0.53) PPARAPPARGPPARDHPGDNLRP1
SCHEMBL13819776 0.88 MRGPRX4 (0.59) PPARAPPARGHPGDMAPTL3MBTL1
SCHEMBL13819716 0.88 MRGPRX4 (0.59) PPARAPPARGHPGDMAPTL3MBTL1
SCHEMBL4336847 0.88 PPARA (0.54) PPARAPPARGPPARDHPGDNLRP1
SCHEMBL4336482 0.84 PPARA (0.53) PPARAPPARGPPARDHPGDMAPT
SCHEMBL6651371 0.84 PPARA (0.53) PPARAPPARGPPARDHPGDMAPT
SCHEMBL4336480 0.84 PPARA (0.53) PPARAPPARGPPARDHPGDMAPT
SCHEMBL4341964 0.82 MMP1 (0.50) PPARAPPARGPPARDHPGDNLRP1
SCHEMBL4327910 0.81 PPARA (0.51) PPARAPPARGPPARDLMNAMEN1
SCHEMBL4327650 0.81 PPARA (0.51) PPARAPPARGPPARDLMNAMEN1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed