SCHEMBL6501224

SCHEMBL6501224

COc1ncc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
POLB P06746 4/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6060873 0.84 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL6060870 0.84 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5554858 0.83 PPARA (0.42) LMNAHTTSMN1; SMN2TMEM97SIGMAR1
SCHEMBL5553481 0.82 PPARA (0.48) ALDH1A1SMN1; SMN2TMEM97SIGMAR1POLB
SCHEMBL5549733 0.82 APEX1 (0.39) HPGDALDH1A1SMN1; SMN2TMEM97SIGMAR1
SCHEMBL6498853 0.81 PPARA (0.47) LMNAPOLBTHRBRECQLTDP1
SCHEMBL6502863 0.81 TMEM97 (0.47) LMNAHTTGAAHPGDALDH1A1
SCHEMBL6494267 0.81 PPARA (0.44) LMNATMEM97SIGMAR1POLBTHRB
SCHEMBL5554903 0.81 PPARA (0.43) LMNAHPGDALDH1A1POLBTHRB
SCHEMBL5553504 0.80 CTSL (0.40) HPGDALDH1A1SMN1; SMN2TMEM97SIGMAR1

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