SCHEMBL728727

SCHEMBL728727

CC1(C)CC(=O)c2cc(COC3C(=O)c4ccccc4SC3(C)C)ccc2S1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6592274 0.71 ALDH1A1 (0.46) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL14145176 0.71 KDM4E (0.33) LMNAKDM4EALDH1A1
SCHEMBL8606021 0.70 ALDH1A1 (0.37) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL85934 0.67 MAPT (0.50) LMNAKDM4EALDH1A1
SCHEMBL1140756 0.66 ALDH1A1 (0.47) LMNAKDM4EALDH1A1HTT
SCHEMBL68563 0.65 KDM4E (0.48) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL12471284 0.64 MEN1 (0.47) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL68066 0.64 VHL (0.50) KDM4EALDH1A1GAAHPGD
SCHEMBL4420836 0.64 S100A4 (0.37) KDM4EALDH1A1
SCHEMBL4255191 0.64 TDP2 (0.36) LMNAKDM4EALDH1A1GAAHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738738-B2 2011-08-03 JP claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP claimed
JP-2005528088-A 2005-09-22 JP claimed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP claimed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP disclosed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP disclosed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO disclosed