SCHEMBL9440872

SCHEMBL9440872

C1CCOCC1.C1CCOCC1.C=C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
MGLL Q99685 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
TP53 P04637 1/20 0.40

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
Dioxane SCHEMBL9440882 0.93 GAA (0.50) BCL9CTNNB1GAAKMT2AATM
SCHEMBL81995 0.87 GAA (0.58) BCL9CTNNB1GAAKMT2AATM
SCHEMBL10412815 0.83 GAA (0.54) BCL9CTNNB1GAAKMT2AATM
SCHEMBL27544786 0.82 BCL9 (0.50) BCL9CTNNB1GAAKMT2ACYP1A2
SCHEMBL18541655 0.81 ELANE (0.66) BCL9CTNNB1GAAKMT2AELANE
Tetrahydrofuran SCHEMBL3720210 0.80 BCL9 (0.51) BCL9CTNNB1GAAKMT2ACYP1A2
Tetrahydrofuran SCHEMBL1273145 0.80 BCL9 (0.51) BCL9CTNNB1GAAKMT2ACYP1A2
SCHEMBL13609816 0.80 GAA (0.50) BCL9CTNNB1GAAKMT2AATM
SCHEMBL13839991 0.76 GAA (0.41) BCL9CTNNB1GAAKMT2AATM
SCHEMBL3989423 0.75 GAA (0.62) BCL9CTNNB1GAAKMT2AALDH1A1

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
US-5356979-A Addition polymers for underwater structures HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-10-18 US disclosed