SCHEMBL4772867

SCHEMBL4772867

COC(=O)c1occc1Oc1cc(Cl)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.40
ABL1 P00519 1/20 0.39
KCNMA1 Q12791 4/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL4774815 0.73 POLB (0.44) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL30740817 0.73 HDAC8 (0.52) ALDH1A1SMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL22068300 0.72 CHRNA4 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL19425624 0.70 SLC6A2 (0.50) HPGDLMNAKCNMA1KMT2AMAPT
SCHEMBL123068 0.68 CA1 (0.67) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL30740745 0.68 TBXA2R (0.43) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8659315 0.67 TTR (0.55) ALDH1A1HPGDSMN1; SMN2LMNAMAPK1
SCHEMBL30740729 0.67 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL363972 0.67 MAOB (0.61) ALDH1A1HPGDMAPK1KMT2AMEN1
SCHEMBL4135441 0.66 TTR (0.75) ALDH1A1HPGDLMNAPOLBMAPT

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
EP-1874749-A1 FURAN COMPOUNDS USEFUL AS EPl RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114272-A1 FURAN COMPOUNDS USEFUL AS EPl RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed