SCHEMBL6503221

SCHEMBL6503221

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cc(C)nn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL6494358 0.87 MAPT (0.43) MAPTALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL6503228 0.83 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6502012 0.82 PIN1 (0.48)
SCHEMBL6505813 0.81 PPARA (0.43) MAPTSMN1; SMN2LMNAMAPK1TP53
SCHEMBL6495611 0.79 PPARG (0.49) MAPTALDH1A1TP53
SCHEMBL6505343 0.78 POLB (0.44) MAPTALDH1A1LMNATP53
SCHEMBL6497351 0.78 POLB (0.43) MAPTALDH1A1LMNATP53
SCHEMBL6496490 0.77 POLB (0.65) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6503163 0.76 PPARA (0.41) MAPTSMN1; SMN2LMNAKMT2ATP53
SCHEMBL6504378 0.75 PPARD (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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