SCHEMBL4732706

SCHEMBL4732706

O=C1CC(C(=O)O)Oc2c1cccc2-c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PIM1 P11309 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.35
SLC22A12 Q96S37 4/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB1 P05556 2/20 0.34
ITGA2 P17301 2/20 0.34
LMNA P02545 1/20 0.34
NSD2 O96028 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8202534 1.00 SMN1; SMN2 (0.46) SMN1; SMN2PIM1CA1CA2POLB
SCHEMBL8213736 0.77 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL8203895 0.77 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL4729890 0.77 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL5909919 0.75 SIRT2 (0.40) SMN1; SMN2MEN1KMT2A
SCHEMBL8210999 0.75 SSTR2 (0.40) PIM1CA2NSD2
SCHEMBL22617257 0.71 MAOB (0.60) SMN1; SMN2MAPTKDM4EADORA3AR
SCHEMBL22617253 0.71 MAOB (0.60) SMN1; SMN2MAPTKDM4EADORA3AR
SCHEMBL22617487 0.71 MAOB (0.60) SMN1; SMN2MAPTKDM4EADORA3AR
SCHEMBL4931666 0.71 MAOB (0.60) SMN1; SMN2MAPTKDM4EADORA3AR

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-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed