SCHEMBL7220336

SCHEMBL7220336

CCOC(=O)Cn1c(C)cc(O)cc1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
LMNA P02545 1/20 0.44
ENPP2 Q13822 1/20 0.44

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
SCHEMBL15057633 0.85 POLB (0.59) POLBKDM4ERAB9AALDH1A1MEN1
SCHEMBL2828050 0.85 KDM4E (0.54) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL11427185 0.77 POLB (1.00) POLBKDM4ERAB9AALDH1A1MEN1
SCHEMBL7214687 0.76 ALDH1A1 (0.56) POLBKDM4ERAB9AALDH1A1MEN1
SCHEMBL7214686 0.76 ALDH1A1 (0.56) POLBKDM4ERAB9AALDH1A1MEN1
SCHEMBL7214682 0.76 ALDH1A1 (0.56) POLBKDM4ERAB9AALDH1A1MEN1
SCHEMBL2827984 0.75 ALDH1A1 (0.59) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL7214293 0.75 KDM4E (0.53) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL7219643 0.74 KDM4E (0.43) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1988320 0.73 ALDH1A1 (0.66) KDM4ERAB9AALDH1A1MEN1KMT2A

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
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed