SCHEMBL6495358

SCHEMBL6495358

CCOC(=O)/C(=C/c1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2Cl)c1)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 2/20 0.43
LPAR1 Q92633 1/20 0.43
USP2 O75604 1/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6495363 1.00 MAPT (0.48) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL6502993 0.90 GAA (0.50) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL6502991 0.90 GAA (0.50) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL6496834 0.82 GAA (0.54) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL6494482 0.78 PPARA (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6494480 0.78 PPARA (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6504914 0.76 PPARA (0.52) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL2556588 0.71 NPSR1 (0.50) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL6505410 0.70 PPARA (0.62) GAAKDM4E
SCHEMBL10631063 0.70 HPGD (0.72) MAPTALDH1A1GAAMEN1KMT2A

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