SCHEMBL7230937

SCHEMBL7230937

CCC(CC)CC(=O)[C@@H]1CC2C=CC1C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 6/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.33
EPHX2 P34913 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 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
SCHEMBL7231075 1.00 KDM4E (0.46) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL17165987 0.85 KDM4E (0.45) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL4741806 0.80 KDM4E (0.53) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL17165986 0.80 KDM4E (0.42) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL7231695 0.78 KDM4E (0.37) KDM4ELMNAALDH1A1
SCHEMBL169821 0.78 KDM4E (0.44) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL13346338 0.77 KDM4E (0.50) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL17165984 0.77 KDM4E (0.41) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL14581091 0.76 KDM4E (0.62) KDM4ELMNAALDH1A1THRBHPGD
SCHEMBL32689006 0.75 KDM4E (0.51) KDM4ELMNAALDH1A1THRBHPGD

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-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 US disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed