SCHEMBL2829758

SCHEMBL2829758

COc1nc(C)c(O)c(O)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMPD3 Q9NY59 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3611524 0.87 ALDH1A1 (0.41) ALDH1A1MEN1HTTRECQLKMT2A
SCHEMBL11787851 0.81 ALDH1A1 (0.37) ALDH1A1LMNATDP1
SCHEMBL11788703 0.77 CYP1A2 (0.37) ALDH1A1
SCHEMBL11793449 0.77 TSHR (0.40) ALDH1A1LMNA
SCHEMBL275575 0.77 CYP3A4 (0.33) ALDH1A1MEN1HTTRECQLKMT2A
SCHEMBL11787841 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11790744 0.74 KDM4E (0.34) ALDH1A1
SCHEMBL276187 0.72 TDP1 (0.35) MEN1HTTRECQLKMT2AATM
SCHEMBL10083615 0.71 ALDH1A1 (0.43) ALDH1A1MEN1HTTRECQLKMT2A
SCHEMBL10474708 0.70 HPGD (0.36) ALDH1A1HTTSMPD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010121638-A1 RECOVERY OF VITAMIN K3 FROM MOTHER LIQUOR LONZA LTD (CH) 2010-10-28 WO disclosed
EP-2243765-A1 Recovery of vitamin K3 mother liquor Lonza Ltd. (CH) 2010-10-27 EP disclosed