SCHEMBL12969878

SCHEMBL12969878

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C4(c5ccc(OC(CC)(CC)c6ccc(S(=O)(=O)c7ccc(C)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13668495 0.93 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1NPC1
SCHEMBL11993903 0.84 PGR (0.32) HTTSMN1; SMN2NR3C1
SCHEMBL19359725 0.83 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1NPC1
SCHEMBL13082578 0.83 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1NPC1
SCHEMBL822949 0.82 HTT (0.63) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL13329348 0.80 NPC1 (0.41) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13670326 0.79 HTT (0.53) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL12113389 0.78 HTT (0.41) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL13321958 0.78 HTT (0.57) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL12341727 0.78 HTT (0.57) HTTSMN1; SMN2TDP1L3MBTL1MAPT

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-20120251919-A1 POLYARYLENE-BASED COPOLYMER AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed