SCHEMBL6847070

SCHEMBL6847070

CC(C)(C)N(CCC(=O)c1ccc(O)c(O)c1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.48
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ACHE P22303 3/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ BCHE P06276 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL13562529 0.83 LMNA (0.47) EGFRLMNAKMT2AMEN1L3MBTL1
SCHEMBL13517617 0.83 OPRM1 (0.52) EGFRLMNAKMT2AMEN1L3MBTL1
SCHEMBL6847843 0.82 TMEM97 (0.46) EGFRLMNAKMT2AMEN1L3MBTL1
SCHEMBL13517749 0.82 MAPT (0.51) EGFRKMT2AMEN1L3MBTL1HTT
SCHEMBL13562742 0.80 TSHR (0.65) LMNAL3MBTL1ACHEBCHETSHR
SCHEMBL13562641 0.79 CYP1A2 (0.46) EGFRLMNAKMT2AMEN1L3MBTL1
SCHEMBL6847576 0.79 KMT2A (0.51) EGFRKMT2AMEN1L3MBTL1HTT
SCHEMBL14350189 0.77 KMT2A (0.51) KMT2AMEN1L3MBTL1HTTOPRM1
SCHEMBL13562673 0.77 HSD11B1 (0.43) EGFRLMNAKMT2AMEN1L3MBTL1
SCHEMBL11817593 0.76 KMT2A (0.39) LMNAKMT2AMEN1L3MBTL1HTT

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-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 — — WO disclosed
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