SCHEMBL6496490

SCHEMBL6496490

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
MAPT P10636 6/20 0.58
HPGD P15428 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
THRB P10828 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FAAH O00519 4/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6495611 0.84 PPARG (0.49) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL6505343 0.83 POLB (0.44) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL6497351 0.83 POLB (0.43) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL6496485 0.82 HSD17B10 (0.52) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL6503265 0.82 HPGD (0.56) MAPTHPGDALDH1A1HSD17B10LMNA
SCHEMBL6494358 0.81 MAPT (0.43) POLBMAPTHPGDALDH1A1HSD17B10
SCHEMBL6502012 0.81 PIN1 (0.48) POLB
SCHEMBL6505813 0.80 PPARA (0.43) POLBMAPTHPGDLMNASMN1; SMN2
SCHEMBL6503163 0.80 PPARA (0.41) POLBMAPTLMNASMN1; SMN2GAA
SCHEMBL6503221 0.77 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2TP53

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