SCHEMBL4960786

SCHEMBL4960786

[CH2]OC(=O)COc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL12061812 0.84 GAA (0.66) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL11562520 0.81 PTGS2 (0.57) MAPTSMN1; SMN2L3MBTL1RAB9AHPGD
SCHEMBL4587997 0.80 ALOX15 (0.63) GAAMAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL435444 0.79 GAA (0.68) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL23605758 0.78 MAPT (0.69) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL11130288 0.78 GAA (0.58) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL10858118 0.78 LMNA (0.58) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL656832 0.78 LMNA (0.67) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2116437 0.77 PTGS2 (0.66) GAALMNAMAPTSMN1; SMN2KMT2A
SCHEMBL24844736 0.77 GAA (0.76) GAALMNAMAPTSMN1; SMN2KMT2A

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-1946007-A2 ANBROSTEEONE DERIVATIVES AND METHOD OF USE THEREOF California Pacific Medical Center (US) 2008-07-23 EP disclosed
WO-2007048097-A2 ANBROSTEEONE DERIVATIVES AND METHOD OF USE THEREOF CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO disclosed