SCHEMBL9313486

SCHEMBL9313486

O=C(Cc1ccc(O)c(O)c1)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
BLM P54132 2/20 0.62
HIF1A Q16665 2/20 0.62
HSD17B10 Q99714 2/20 0.62
RGS12 O14924 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
APEX1 P27695 1/20 0.62
THPO P40225 1/20 0.62
GNAI1 P63096 1/20 0.62
PMP22 Q01453 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ERCC1 P07992 6/20 0.56
ERCC4 Q92889 6/20 0.56
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL15522915 0.86 ALOX15 (0.61) ERCC1ERCC4TRPV1HDAC8
SCHEMBL9674289 0.82 KDM4E (0.60) KDM4ELMNAMAPTHPGDBLM
SCHEMBL14015924 0.82 MAPT (0.60) KDM4ELMNAMAPTHPGDBLM
SCHEMBL29556990 0.82 KDM4E (0.60) KDM4ELMNAMAPTHPGDBLM
SCHEMBL107237 0.81 ERCC1 (0.81) KDM4ELMNAMAPTHPGDBLM
SCHEMBL11053748 0.81 HDAC1 (0.62) KDM4ELMNAMAPTHPGDBLM
SCHEMBL108018 0.79 BCHE (0.63) KDM4ELMNAMAPTHPGDBLM
SCHEMBL11052430 0.79 HDAC6 (0.52) KDM4ELMNAMAPTBLMHIF1A
SCHEMBL22982989 0.79 KDM4E (0.72) KDM4ELMNAMAPTHPGDBLM
SCHEMBL31618868 0.79 KDM4E (0.72) KDM4ELMNAMAPTHPGDBLM

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
US-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 US claimed
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed
US-4448730-A ANTITUMOR AGENTS RIET BARTHOLOMEUS VAN T 1984-05-15 US disclosed