SCHEMBL16487244

SCHEMBL16487244

CC(C)(C)C(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
PKM P14618 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 2/20 0.46
ALOX12 P18054 1/20 0.44

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
SCHEMBL23441 0.83 L3MBTL1 (0.73) MEN1KMT2AL3MBTL1NPSR1GAA
SCHEMBL14574199 0.82 MEN1 (0.56) MEN1KMT2AL3MBTL1NPSR1PKM
SCHEMBL7824768 0.82 NPSR1 (0.78) MEN1KMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL13901286 0.82 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1PKMGAA
SCHEMBL7332862 0.80 L3MBTL1 (0.76) MEN1KMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL11364641 0.79 MEN1 (0.53) MEN1KMT2AL3MBTL1NPSR1GAA
SCHEMBL2032660 0.78 MEN1 (0.55) MEN1KMT2AL3MBTL1NPSR1GAA
SCHEMBL618917 0.77 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1PKMGAA
SCHEMBL10893920 0.76 PKM (0.61) MEN1KMT2AL3MBTL1PKMGAA
SCHEMBL8652061 0.76 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1PKMGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015021948-A1 AGENT FOR NUCLEATION OF POLYOLEFIN AND ELIMINATION OF FOULING IN A GAS PHASE POLYMERISATION REACTOR POLYMER INSTITUTE BRNO, SPOL. S.R.O. (CZ) 2015-02-19 WO claimed