SCHEMBL6503168

SCHEMBL6503168

COc1ccc(CC(OC(C)C)C(=O)O)cc1C(C)NC(=O)c1ncc(-c2ccccc2)n1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
GAA P10253 3/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
PPARD Q03181 2/20 0.38
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37
MMP1 P03956 2/20 0.37
RAB9A P51151 1/20 0.36
OPRK1 P41145 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL6505823 0.85 KMT2A (0.41) KMT2APPARGPPARAPPARDMMP1
SCHEMBL6495617 0.84 MME (0.50) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6503163 0.84 PPARA (0.41) KMT2AGAAPKMMEN1PPARG
SCHEMBL6502018 0.81 PHGDH (0.55)
SCHEMBL6505350 0.80 PPARG (0.40) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6496485 0.79 HSD17B10 (0.52) KMT2AMEN1RAB9A
SCHEMBL6497349 0.78 OPRK1 (0.40) PPARGPPARAPPARDMMP1RAB9A
SCHEMBL6503228 0.76 ALDH1A1 (0.47) KMT2AMEN1
SCHEMBL6494362 0.76 NPY5R (0.43) PPARGRAB9AOPRK1
SCHEMBL6504374 0.71 OPRK1 (0.36) PPARGPPARAPPARDMMP1RAB9A

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