SCHEMBL7778294

SCHEMBL7778294

COCc1ccc2c3c(ccc(COC)c13)COC2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL15037545 0.78 PRKCE (0.39) KDM4EMAPTL3MBTL1
SCHEMBL15037547 0.70 KDM4E (0.38) KDM4EMAPT
SCHEMBL15033123 0.70 TDP1 (0.39) KDM4EMAPTL3MBTL1
SCHEMBL20225728 0.66 ALDH1A1 (0.32) KDM4EMAPT
SCHEMBL18826311 0.63 KDM4E (0.47) KDM4EMAPTL3MBTL1
SCHEMBL15033125 0.60 NPC1 (0.38) KDM4EMAPT
SCHEMBL18251423 0.60 KDM4E (0.47) KDM4EMAPTL3MBTL1
SCHEMBL11322968 0.60 ADRA1A (0.36) KDM4EMAPTL3MBTL1
SCHEMBL648491 0.59 IDO1 (0.44) KDM4EMAPT
SCHEMBL1145658 0.58 KDM4E (0.51) KDM4EMAPTL3MBTL1

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
JP-2001055385-A 6,7-DI-SUBSTITUTED-2-HETERA-2,3-DIHYDROPHENALENE COMPOUND AND ITS PRODUCTION AGENCY OF IND SCIENCE & TECHNOL 2001-02-27 JP disclosed