SCHEMBL15760412

SCHEMBL15760412

COc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PKM P14618 2/20 0.58
GAA P10253 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10034459 1.00 HTT (0.59) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL13021062 1.00 HTT (0.59) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL12242069 1.00 HTT (0.59) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL8766382 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL13330397 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL12857630 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL13002249 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL13002250 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL13155587 0.96 HTT (0.55) HTTSMN1; SMN2PKMGAATDP1
SCHEMBL822651 0.94 HTT (0.67) HTTSMN1; SMN2PKMGAATDP1

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-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed