SCHEMBL8036992

SCHEMBL8036992

CCOC(=O)C1CCN(C(=O)N(C)C(=O)c2cc(OCC)c(OC)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL8035102 0.89 POLB (0.50) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8039106 0.77 POLB (0.45) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8034167 0.72 APP (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL8031648 0.70 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL3225808 0.69 POLB (0.59) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8039013 0.69 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1255362 0.68 MAPT (1.00) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL8041234 0.68 POLB (0.47) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL1787071 0.67 TSHR (0.57) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL3221137 0.66 LGMN (0.61) SMN1; SMN2MAPTALDH1A1KMT2AMEN1

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed