SCHEMBL8749243

SCHEMBL8749243

CC(C)(OCC1CC=CCC1)OCC1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
SCN9A Q15858 1/20 0.34
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 6/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 4/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23763372 0.88 MAPK1 (0.39) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL14241127 0.78 MAPK1 (0.46) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL2404728 0.77
SCHEMBL7973683 0.76 MAPK1 (0.56) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL2621459 0.74 MAPK1 (0.41) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL25391621 0.74 MAPK1 (0.41) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL5026052 0.74 MAPK1 (0.38) MAPK1MAOAMAOBCDK1CCNB1
SCHEMBL1524655 0.74 KDM4E (0.35) MAPK1MAOAMAOBKDM4ECYP1A2
SCHEMBL1715525 0.72
SCHEMBL13188777 0.72

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
EP-0532896-B1 Cleavable diepoxide for removable device protection in electronic packaging IBM (US) 1997-03-19 EP disclosed
EP-0532896-A2 Cleavable diepoxide for removable device protection in electronic packaging International Business Machines Corporation (US) 1993-03-24 EP disclosed