SCHEMBL5573064

SCHEMBL5573064

COc1ccc2cnoc2c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 5/20 0.61
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAP4K2 Q12851 1/20 0.42

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
SCHEMBL10660616 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HPGDCHEK1DAPK3
SCHEMBL9440596 0.76 CYP2A6 (0.47) KDM4EALDH1A1HPGDCHEK1DAPK3
SCHEMBL27633733 0.74 ALDH1A1 (0.42) KDM4EALDH1A1HPGDCHEK1DAPK3
SCHEMBL30879595 0.69 CYP1A2 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL27499528 0.69 CYP1A2 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL30701949 0.67 CA9 (0.50) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL3674074 0.67 CA9 (0.50) KDM4EALDH1A1HPGDKMT2ACYP3A4
SCHEMBL4065234 0.67 CHEK1 (0.42) KDM4EALDH1A1HPGDCHEK1DAPK3
SCHEMBL3362753 0.67 CA9 (0.70) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL5356684 0.65 TDO2 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1

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-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US disclosed