SCHEMBL6167019

SCHEMBL6167019

C[C@H]1COc2cccc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.68
CNR1 P21554 13/20 0.68
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 1/20 0.53
TOP2A P11388 1/20 0.52
TOP2B Q02880 1/20 0.52

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
SCHEMBL483174 1.00 CNR2 (0.68) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL11852714 0.81 TOP2A (0.55) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL4717954 0.81 KDM4E (0.63) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL29433778 0.81 KDM4E (0.63) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL4717957 0.81 KDM4E (0.63) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL11858118 0.81 TOP2A (0.55) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL10330772 0.79 TOP2A (0.59) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL11858912 0.79 TOP2A (0.59) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL9144791 0.78 TOP2A (0.58) CNR2CNR1KDM4EKMT2ATOP2A
SCHEMBL2080555 0.78 TOP2A (0.66) CNR2CNR1KDM4EKMT2ATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 EP disclosed