SCHEMBL4053767

SCHEMBL4053767

CCOC(=O)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AR P10275 2/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL11842785 0.95 MAPT (0.52) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4059775 0.89 MAPT (0.47) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4279296 0.85 MAPT (0.57) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL10771702 0.85 MAPT (0.57) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL4136472 0.84 ALDH1A1 (0.58) MAPTKMT2AKDM4ELMNACRHBP
SCHEMBL14861589 0.84 MAPT (0.65) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL2614715 0.83 MEN1 (0.59) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL8593569 0.83 MEN1 (0.59) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL20448296 0.83 MAPT (0.56) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL5611041 0.83 MAPT (0.54) MAPTKMT2AMEN1KDM4ELMNA

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-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed