SCHEMBL9314019

SCHEMBL9314019

CCCOC(=O)[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
KDM4E B2RXH2 8/20 0.44
TDP1 Q9NUW8 8/20 0.44
MAPK1 P28482 4/20 0.44
POLB P06746 2/20 0.43
BLM P54132 6/20 0.43
TSHR P16473 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 6/20 0.42
HSD17B10 Q99714 4/20 0.42
RECQL P46063 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADRB2 P07550 3/20 0.42
APEX1 P27695 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP1A2 P05177 2/20 0.42
ADRB1 P08588 2/20 0.42
CYP3A4 P08684 2/20 0.42
ADRA2A P08913 2/20 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
SCHEMBL9314014 1.00 APP (0.49) APPKDM4ETDP1MAPK1POLB
SCHEMBL186927 0.91 APP (0.51) APPKDM4ETDP1MAPK1BLM
SCHEMBL186928 0.91 APP (0.51) APPKDM4ETDP1MAPK1BLM
SCHEMBL3838056 0.88 TRPA1 (0.46) APPKDM4ETDP1MAPK1POLB
SCHEMBL5283420 0.87 CA12 (0.53) KDM4ETDP1MAPK1POLBBLM
SCHEMBL5283426 0.87 CA12 (0.53) KDM4ETDP1MAPK1POLBBLM
SCHEMBL12659990 0.85 TSHR (0.49) APPKDM4EPOLBBLMTSHR
SCHEMBL11860283 0.85 TSHR (0.64) KDM4EPOLBBLMTSHRNPSR1
SCHEMBL11860271 0.85 TSHR (0.64) KDM4EPOLBBLMTSHRNPSR1
SCHEMBL5281995 0.80 BLM (0.51) KDM4ETDP1MAPK1POLBBLM

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-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 US disclosed