SCHEMBL13330397

SCHEMBL13330397

COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(Oc5ccc(C(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(-c9ccc(S(=O)(=O)c%10ccc(C)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 2/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
GFER P55789 1/20 0.47
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13002249 1.00 HTT (0.55) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL8766382 1.00 HTT (0.55) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL12857630 1.00 HTT (0.55) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL13155587 1.00 HTT (0.55) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL13002250 1.00 HTT (0.55) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL10034459 0.96 HTT (0.59) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL12242069 0.96 HTT (0.59) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL15760412 0.96 HTT (0.59) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL13021062 0.96 HTT (0.59) HTTSMN1; SMN2PKMALDH1A1LMNA
SCHEMBL13297321 0.93 HTT (0.53) HTTSMN1; SMN2PKMALDH1A1LMNA

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-20100113688-A1 High temperature melt processable semi-crystalline poly (aryl ether ketone) containing a (4-hydroxyphenyl) phthalazin-1 (2H)-one comonomer unit POLYMICS, LTD. 2010-05-06 US disclosed