SCHEMBL10490482

SCHEMBL10490482

CCCCCCCCCCCCCCC=CN(CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
EPHX2 P34913 4/20 0.40
FAAH O00519 2/20 0.40
KCNH2 Q12809 4/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
MMP2 P08253 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ECE1 P42892 1/20 0.37
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL10490478 1.00 SOAT2 (0.42) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL9193492 0.86 TSHR (0.37) KCNH2CNR2MAPTHSD17B10
SCHEMBL9193487 0.86 TSHR (0.37) KCNH2CNR2MAPTHSD17B10
SCHEMBL9289316 0.85 TSHR (0.34) SOAT2SOAT1KCNH2MAPT
SCHEMBL4468500 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL4474815 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL4468757 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL4474820 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL4468496 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2
SCHEMBL4468762 0.83 SOAT2 (0.44) SOAT2SOAT1EPHX2FAAHKCNH2

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
US-4804747-A NON-LINEAR OPTICAL ELEMENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-14 US disclosed
EP-0293093-A2 Azo Compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-30 EP disclosed
EP-0220042-A2 Azo compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-29 EP disclosed