SCHEMBL21667412

SCHEMBL21667412

CCOc1cc(N(C)C)ccc1/C=C/C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.40
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 2/20 0.37
PSMB5 P28074 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10935282 0.86 ALDH1A1 (0.54) BACE1ALDH1A1L3MBTL1ELANEMAOB
SCHEMBL4623521 0.80 CYP1A2 (0.54) ALDH1A1MAPTKDM4ETDP1HPGD
SCHEMBL4623519 0.80 CYP1A2 (0.54) ALDH1A1MAPTKDM4ETDP1HPGD
SCHEMBL28322152 0.79 BACE1 (0.54) BACE1ALDH1A1MAOBMAPTKDM4E
SCHEMBL9822773 0.78 BACE1 (0.44) BACE1ALDH1A1MAOBLMNAMAPT
SCHEMBL14895292 0.78 KDM4E (0.39) BACE1ALDH1A1ELANECDK4CCND1
SCHEMBL11749724 0.78 MEN1 (0.43) BACE1ALDH1A1L3MBTL1ELANELMNA
SCHEMBL6262373 0.74 ALDH1A1 (0.51) BACE1ALDH1A1L3MBTL1MAOBPSMB5
SCHEMBL28398139 0.74 CDK4 (0.65) ALDH1A1L3MBTL1CDK4CCND1CCNB2
SCHEMBL9063138 0.74 CDK4 (0.65) ALDH1A1L3MBTL1CDK4CCND1CCNB2

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-2020028757-A1 LATE SV40 FACTOR (LSF) INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 2020-02-06 WO disclosed