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SCHEMBL3963100

SCHEMBL3963100

CC(C)OC(=O)N[C@H](C(=O)NC(CC(=O)O)c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ CYP26A1 O43174 3/20 0.46
▸ CTSA P10619 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ UTS2R Q9UKP6 4/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL336943 1.00 KMT2A (0.53) KMT2ACYP26A1CTSALMNAMAPK1
SCHEMBL3001125 1.00 KMT2A (0.53) KMT2ACYP26A1CTSALMNAMAPK1
SCHEMBL31452421 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL30419756 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL1138368 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL10268155 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL167441 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL3674127 0.89 KMT2A (0.42) KMT2ACYP26A1LMNAMAPK1HTT
SCHEMBL4000328 0.88 MAPK1 (0.42) KMT2ALMNAMAPK1SMN1; SMN2HTT
SCHEMBL1099261 0.83 UTS2R (0.42) KMT2ALMNAMAPK1HTTUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 — — EP disclosed
EP-1966148-A1 CARBOXAMIDES Bayer CropScience AG (DE) 2008-09-10 — — EP disclosed
EP-1965640-A2 THIENYLPYRIDYL CARBOXAMIDES Bayer CropScience AG (DE) 2008-09-10 — — EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 — — WO disclosed
EP-1888535-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-02-20 — — EP disclosed
EP-1885712-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2008-02-13 — — EP disclosed
EP-1885698-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2008-02-13 — — EP disclosed
EP-1879871-A1 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2008-01-23 — — EP disclosed
EP-1871744-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-01-02 — — EP disclosed
WO-2006117358-A9 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-18 — — WO disclosed
WO-2007068374-A2 THIENYLPYRIDYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-06-21 — — WO disclosed
WO-2007068373-A1 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-06-21 — — WO disclosed
WO-2006122952-A1 2-PYRIDINYLCYCLOALKYLBENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-11-23 — — WO disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 — — WO disclosed
WO-2006117356-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 — — WO disclosed
WO-2006117358-A1 NEW HETEROCYCLYLETHYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-11-09 — — WO disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 — — WO disclosed