SCHEMBL13918652

SCHEMBL13918652

CCC(C)(C)Oc1ccc(Oc2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(CC)(CC)C(C)(CC)Oc5ccc(-c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C(C)(CC)CC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 1/20 0.31
MAPT P10636 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP14 P50281 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9915249 0.91 HTT (0.39) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL13919090 0.89 ADORA3 (0.40)
SCHEMBL16260250 0.88 HTT (0.37) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL13823010 0.87 HSD11B1 (0.40) SMN1; SMN2HSD11B1NPC1RAB9ALMNA
SCHEMBL22202018 0.84 HTT (0.39) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL13064047 0.84 HTT (0.39) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL12961576 0.83 HSD11B1 (0.42) HTTSMN1; SMN2HSD11B1ALDH1A1ELANE
SCHEMBL14364646 0.82 HTT (0.40) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL13822218 0.82 HSD11B1 (0.36) HTTSMN1; SMN2HSD11B1NPC1RAB9A
SCHEMBL10030281 0.81 NPC1 (0.49) HTTSMN1; SMN2HSD11B1NPC1RAB9A

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-20090075147-A1 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-19 US disclosed