SCHEMBL4336482

SCHEMBL4336482

CC(C)O[C@@H](Cc1cccc(C[C@H](F)COc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.53
PPARG P37231 8/20 0.47
MRGPRX4 Q96LA9 4/20 0.44
PPARD Q03181 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4336480 1.00 PPARA (0.53) PPARAPPARGMRGPRX4PPARDTDP1
SCHEMBL6651371 1.00 PPARA (0.53) PPARAPPARGMRGPRX4PPARDTDP1
SCHEMBL4332536 0.91 PPARA (0.50) PPARAPPARGMRGPRX4PPARDTDP1
SCHEMBL4332539 0.91 PPARA (0.50) PPARAPPARGMRGPRX4PPARDTDP1
SCHEMBL4339171 0.91 PPARA (0.50) PPARAPPARGMRGPRX4PPARDTDP1
SCHEMBL4335606 0.88 PPARA (0.44) PPARAPPARGMRGPRX4PPARD
SCHEMBL4335605 0.88 PPARA (0.44) PPARAPPARGMRGPRX4PPARD
SCHEMBL6651328 0.88 PPARA (0.44) PPARAPPARGMRGPRX4PPARD
SCHEMBL13819776 0.87 MRGPRX4 (0.59) PPARAPPARGMRGPRX4SMN1; SMN2NPC1
SCHEMBL13819716 0.87 MRGPRX4 (0.59) PPARAPPARGMRGPRX4SMN1; SMN2NPC1

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 2 patents. 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
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed