SCHEMBL3636883

SCHEMBL3636883

CC(C)CCNc1ccccc1N1CCCCC1.Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ GAA P10253 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KCNQ2 O43526 3/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL3632655 0.79 GAA (0.55) MEN1KMT2APOLBGAAMAPT
SCHEMBL3014389 0.79 MC4R (0.45) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3633209 0.77 MEN1 (0.43) MEN1KMT2APOLBGAAMAPT
SCHEMBL3408856 0.72 MC4R (0.48) MEN1KMT2AGAAKCNQ2CYP2D6
SCHEMBL2344486 0.72 MC4R (0.48) MEN1KMT2AGAAKCNQ2CYP2D6
SCHEMBL311252 0.72 TP53 (0.49) MEN1KMT2APOLBALDH1A1CYP2C19
SCHEMBL8538901 0.72 TP53 (0.49) MEN1KMT2APOLBALDH1A1CYP2C19
SCHEMBL12536783 0.70 TSHR (0.79) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL938198 0.69 TP53 (0.68) MEN1KMT2AMAPTALDH1A1CYP2C19
SCHEMBL72682 0.69 TP53 (0.68) MEN1KMT2AMAPTALDH1A1CYP2C19

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
EP-2155706-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY Actavis Group PTC EHF (IS) 2010-02-24 — — EP disclosed
WO-2009004485-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY ACTAVIS GROUP PTC EHF (IS) 2009-01-08 — — WO disclosed
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