SCHEMBL21756907

SCHEMBL21756907

CC1CC2CC(C)CC(c3ccc(Oc4ccc(C5(O)COC5)cc4)cc3)(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP2 P42575 2/20 0.36
NPC1 O15118 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
HIF1A Q16665 7/20 0.34
EPAS1 Q99814 4/20 0.34
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL21753150 0.90 MEN1 (0.47) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL21756909 0.86 MEN1 (0.41) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL27845478 0.74 LMNA (0.61) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL20648576 0.72 MEN1 (0.49) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL16216731 0.70 LMNA (0.52) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL21769896 0.70 MEN1 (0.35) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL18790920 0.69 ALDH1A1 (0.48) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL21757027 0.68 MEN1 (0.39) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL20790324 0.68 CHRNA1 (0.47) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL21752967 0.67 LMNA (0.52) MEN1KMT2ARAB9ALMNAALDH1A1

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-2020039092-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2020-02-27 WO disclosed