SCHEMBL9716879

SCHEMBL9716879

CCOc1ccc(C(O)(CCCN(CC(C)C)CC(C)C)c2ccc(OCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NQO1 P15559 1/20 0.38
NR1H2 P55055 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9716799 0.82 BCL2 (0.48) BCL2SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL9716709 0.81 BCL2 (0.50) BCL2SIGMAR1SMN1; SMN2HPGDCHRM2
SCHEMBL9716867 0.81 BCL2 (0.50) BCL2SIGMAR1SMN1; SMN2CHRM2CHRM4
SCHEMBL9716800 0.80 BCL2 (0.49) BCL2SIGMAR1KDM4ESMN1; SMN2NPSR1
SCHEMBL9716801 0.80 SIGMAR1 (0.62) BCL2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9716825 0.79 CHRM4 (0.62) BCL2SIGMAR1ALDH1A1KDM4ESMN1; SMN2
Maleic Acid SCHEMBL9716788 0.78 THRB (0.42) BCL2SIGMAR1ALDH1A1SMN1; SMN2TDP1
Fumaric Acid SCHEMBL9716794 0.78 THRB (0.42) BCL2SIGMAR1ALDH1A1SMN1; SMN2TDP1
SCHEMBL9716774 0.77 SIGMAR1 (0.55) BCL2SIGMAR1ALDH1A1SMN1; SMN2CHRM2
Fumaric Acid SCHEMBL9716769 0.75 BCL2 (0.45) BCL2SIGMAR1ALDH1A1KDM4ESMN1; SMN2

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
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US claimed
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed