SCHEMBL9579965

SCHEMBL9579965

[O]c1ccc(Oc2ccc(S(=O)(=O)c3cc[c]cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 5/20 0.44
PKM P14618 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 5/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
MDM2 Q00987 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 3/20 0.40
APEX1 P27695 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SOS1 Q07889 2/20 0.39

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
SCHEMBL9579929 1.00 HTT (0.47) HTTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL5664519 0.96 HTT (0.47) HTTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL3781114 0.88 ALDH1A1 (0.42) ALDH1A1PKMLMNAMAPTTSHR
SCHEMBL9579795 0.85 HTT (0.41) HTTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL9579897 0.84 HTT (0.54) HTTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL9444071 0.79 HTT (0.38) HTTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL23360750 0.77 PKM (0.76) HTTALDH1A1PKMMAPTNPC1
SCHEMBL818508 0.77 HTR6 (0.50) ALDH1A1PKMLMNAMAPTTSHR
SCHEMBL8632609 0.74 ALDH1A1 (0.55) ALDH1A1PKMLMNAMAPTTSHR
SCHEMBL9153268 0.73 SMN1; SMN2 (0.47) HTTSMN1; SMN2ALDH1A1TDP1LMNA

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
EP-0532893-A2 Depolymerization of polymers and their use in thermoset compositions and composites HERCULES INCORPORATED (US) 1993-03-24 EP disclosed