SCHEMBL8652186

SCHEMBL8652186

CCOc1ccc(C(CCCOB(O)O)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.38
PLK1 P53350 1/20 0.37
KIF11 P52732 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
Tetrabuthylammonium SCHEMBL6928151 0.90 ALDH1A1 (0.38) NQO1ALDH1A1POLBRAB9ALTA4H
SCHEMBL5528724 0.84 KIF11 (0.53) ALDH1A1NPC1RAB9AKIF11KCNH2
SCHEMBL5076441 0.81 KIF11 (0.47) SMN1; SMN2KIF11KCNH2TSHRTDP1
SCHEMBL625253 0.81 LMNA (0.36) ALDH1A1SMN1; SMN2KIF11KCNH2TSHR
SCHEMBL8650293 0.81 KIF11 (0.36) KIF11KCNH2
SCHEMBL6933766 0.80 KIF11 (0.51) ALDH1A1NPC1RAB9AKIF11KCNH2
SCHEMBL5916248 0.80 KIF11 (0.46) SMN1; SMN2KIF11KCNH2TSHRTDP1
SCHEMBL8019383 0.79 KIF11 (0.50) ALDH1A1NPC1RAB9AKIF11KCNH2
SCHEMBL8018673 0.79 KIF11 (0.50) ALDH1A1NPC1RAB9AKIF11KCNH2
SCHEMBL5712229 0.78 CYP3A4 (0.33) SMN1; SMN2RAB9AKIF11KCNH2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661598-B1 Decolorizable toner and a decolorizable toner production process SHOWA DENKO KK (JP) 1998-09-16 EP disclosed
EP-0661598-A1 Decolorizable toner and a decolorizable toner production process SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-07-05 EP disclosed