SCHEMBL9485679

SCHEMBL9485679

CCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCC)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
MAPT P10636 1/20 0.56
BCHE P06276 5/20 0.54
DRD2 P14416 2/20 0.54
OPRM1 P35372 2/20 0.54
DRD3 P35462 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
ACHE P22303 2/20 0.53
MAOB P27338 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
SIGMAR1 Q99720 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
SCHEMBL1260665 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL1262348 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL1262236 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL3453399 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL1260761 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL9005868 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL11359571 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL9005882 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL7606887 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1
SCHEMBL9485273 1.00 KCNH2 (0.66) KCNH2MAPTBCHEDRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292564-B1 PROCESS FOR PREPARING ALKOXYALKYL-SUBSTITUTED PHENOLS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1993-07-28 EP disclosed
US-4952736-A REACTING ALKYL PHENOL, ALCOHOL, AND ALDEHYDE IN PRESENCE OF TERTIARY AMINE CATALYST Idemitsu Petrochmeical Company, Limited (JP) 1990-08-28 US disclosed
EP-0292564-A1 PROCESS FOR PREPARING ALKOXYALKYL-SUBSTITUTED PHENOLS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-11-30 EP disclosed