SCHEMBL1163554

SCHEMBL1163554

CC(C)(C)N(Cc1ccc2cc(CO)ccc2c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37

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
SCHEMBL356816 0.87 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL186800 0.86 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2018680 0.77 ALDH1A1 (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL18527956 0.76 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL16989065 0.76 RECQL (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.76 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2209892 0.76 HTT (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL4694621 0.75 LMNA (0.49) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL23931825 0.75 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1684422 0.75 MEN1 (0.55) MEN1KMT2AHTTL3MBTL1LMNA

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-2011018241-A1 METHODS FOR THE IDENTIFICATION AND CHARACTERIZATION OF HDAC INTERACTING COMPOUNDS CELLZOME AG (DE) 2011-02-17 WO disclosed