SCHEMBL8925439

SCHEMBL8925439

OP(O)OCCCCCCCCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.46
HTR2A P28223 3/20 0.46
SIGMAR1 Q99720 4/20 0.43
CYP19A1 P11511 3/20 0.43
TBXAS1 P24557 1/20 0.41
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 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
SCHEMBL746062 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL11795957 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL9446571 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL128273 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL11124054 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL1406142 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL11403346 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL9446574 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL6059940 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1
SCHEMBL26669506 1.00 HRH1 (0.46) HRH1HTR2ASIGMAR1CYP19A1TBXAS1

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-5698373-A Photosensitive relief printing plate and photosensitive intaglio printing plate TORAY INDUSTRIES, INCORPORATED (JP) 1997-12-16 US disclosed