SCHEMBL4785585

SCHEMBL4785585

CC(C)C1CC(C(O)COCc2cccc3ccccc23)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 1/20 0.34
ABCB1 P08183 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL8172082 1.00 MAPT (0.37) MAPTKDM4EALDH1A1TDP1EPHX1
SCHEMBL13884742 0.82 SLC18A2 (0.32) MAPTKDM4EALDH1A1TDP1EPHX1
SCHEMBL4746758 0.82 HTT (0.44) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL3975545 0.82 HTT (0.44) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL8171940 0.81 CASR (0.39) SLC1A3SLC1A2SLC1A1TACR1
SCHEMBL4088596 0.81 CASR (0.39) SLC1A3SLC1A2SLC1A1TACR1
SCHEMBL4743482 0.73 TACR1 (0.34) TACR1
SCHEMBL4551129 0.73 TACR1 (0.38) ALDH1A1TACR1
SCHEMBL13885022 0.72 TDP1 (0.38) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL8175955 0.71 TDP1 (0.37) KDM4EALDH1A1TDP1MEN1KMT2A

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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed