SCHEMBL8537635

SCHEMBL8537635

COc1cccc(-c2cc(C)ccc2S(=O)(=S)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
ALKBH3 Q96Q83 1/20 0.45
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ACLY P53396 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL8536322 0.87 MAOB (0.44) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL2315622 0.83 MAOB (0.49) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL8534267 0.80 CA12 (0.47) ACLYHSD17B10TDP1
SCHEMBL277912 0.75 ACHE (0.57) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL30728871 0.73 ACHE (0.55) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL7875685 0.73 ACHE (0.55) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL8538998 0.73 GSTP1 (0.51) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL24061160 0.72 ACHE (0.53) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL18087561 0.72 ACHE (0.53) MAOBALKBH3ACHEALDH1A1SMN1; SMN2
SCHEMBL8539259 0.72 ALKBH3 (0.44) MAOBALKBH3ACHEALDH1A1SMN1; SMN2

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