SCHEMBL8538762

SCHEMBL8538762

O=c1oc(-c2ccccc2)cc(O)c1CSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 1/20 0.48
ABCB1 P08183 4/20 0.41
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
DAO P14920 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PTGES O14684 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 5/20 0.40
ALOX15 P16050 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TP53 P04637 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
CYP1A1 P04798 3/20 0.40

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
SCHEMBL6955608 0.94 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL8538695 0.92 POLB (0.41) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL7374354 0.88 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1POLBABCB1MEN1
SCHEMBL8536190 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1POLBABCB1DAO
SCHEMBL7374377 0.78 ALDH1A1 (0.46) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL8536188 0.78 HDAC4 (0.41) SMN1; SMN2L3MBTL1POLBABCB1DAO
SCHEMBL6959106 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL8116897 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL7372932 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1POLBABCB1CCNC
SCHEMBL7366840 0.74 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1POLBABCB1MEN1

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed