SCHEMBL6887732

SCHEMBL6887732

COc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.51
MAPT P10636 8/20 0.51
ALDH1A1 P00352 8/20 0.51
HSD17B10 Q99714 8/20 0.51
KDM4E B2RXH2 7/20 0.51
NPSR1 Q6W5P4 4/20 0.50
LMNA P02545 4/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL5031873 0.90 POLB (0.53) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL5037078 0.83 HPGD (0.51) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL6426963 0.80 PPARA (0.44) HPGDLMNAHTTSMN1; SMN2
SCHEMBL5034531 0.79 PPARA (0.41) HPGDMAPTLMNAMEN1KMT2A
SCHEMBL6888818 0.79 HTT (0.43) HPGDMAPTALDH1A1LMNAHTT
SCHEMBL5034523 0.77 HPGD (0.46) HPGDMAPTALDH1A1NPSR1NPC1
SCHEMBL6427520 0.77 PPARA (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6503265 0.77 HPGD (0.56) HPGDMAPTALDH1A1HSD17B10KDM4E
SCHEMBL5032845 0.76 PPARA (0.46) LMNA
SCHEMBL5029907 0.76 PPARA (0.40) HPGDALDH1A1LMNAHTTGAA

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
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed