SCHEMBL6502863

SCHEMBL6502863

CC(C)OC(Cc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
APEX1 P27695 1/20 0.47
PPARA Q07869 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4339622 0.84 NPC1 (0.49) TMEM97SIGMAR1PPARANPC1RAB9A
SCHEMBL6060870 0.83 PPARA (0.51) PPARA
SCHEMBL6494267 0.83 PPARA (0.44) TMEM97SIGMAR1PPARALMNAPOLB
SCHEMBL6060873 0.83 PPARA (0.51) PPARA
SCHEMBL4328023 0.82 GAA (0.44) PPARASMN1; SMN2LMNAHTTTDP1
SCHEMBL6498853 0.82 PPARA (0.47) PPARANPC1LMNAPOLBTHRB
SCHEMBL6501224 0.81 LMNA (0.42) TMEM97SIGMAR1APEX1PPARANPC1
SCHEMBL4339328 0.81 ATM (0.46) PPARALMNAPOLBL3MBTL1HPGD
SCHEMBL4339331 0.81 ATM (0.46) PPARALMNAPOLBL3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL6505054 0.80 HPGD (0.49) PPARARAB9AALDH1A1SMN1; SMN2LMNA

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed