SCHEMBL6494358

SCHEMBL6494358

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cc(C)n(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6503221 0.87 MAPT (0.54) MAPTTP53SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6495611 0.84 PPARG (0.49) MAPTTP53ALDH1A1HPGDATM
SCHEMBL6494362 0.83 NPY5R (0.43) NPY5R
SCHEMBL6505343 0.81 POLB (0.44) MAPTTP53ALDH1A1HPGDPOLB
SCHEMBL6496490 0.81 POLB (0.65) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL6502012 0.79 PIN1 (0.48) POLBPPARDPPARA
SCHEMBL6505813 0.78 PPARA (0.43) MAPTTP53SMN1; SMN2HPGDPOLB
SCHEMBL6497351 0.78 POLB (0.43) MAPTTP53ALDH1A1HPGDPOLB
SCHEMBL6503163 0.76 PPARA (0.41) MAPTTP53SMN1; SMN2POLBKMT2A
SCHEMBL6504378 0.75 PPARD (0.40) MAPTTP53SMN1; SMN2ALDH1A1POLB

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