SCHEMBL28044355

SCHEMBL28044355

c1ccc(OCc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.65
HRH1 P35367 1/20 0.58
SLC6A4 P31645 4/20 0.56
SLC6A2 P23975 3/20 0.56
RIPK1 Q13546 1/20 0.56
SLC6A3 Q01959 2/20 0.49
CYP19A1 P11511 1/20 0.46
LTA4H P09960 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL29669692 0.85 HRH1 (0.60) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL2031145 0.85 HRH1 (0.60) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL23004850 0.83 HRH1 (0.59) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL891492 0.83 LTA4H (0.59) FFAR1LTA4HKDM4ESMN1; SMN2FFAR4
SCHEMBL20357546 0.82 FFAR1 (0.49) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL931875 0.82 PTPRC (0.59) SLC6A4SLC6A2SLC6A3KDM4ESMN1; SMN2
SCHEMBL10942713 0.82 HRH1 (0.56) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL2088979 0.82 SLC6A4 (0.59) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL2088976 0.82 HRH1 (0.56) FFAR1HRH1SLC6A4SLC6A2RIPK1
SCHEMBL4779293 0.82 ABCB1 (0.62) FFAR1

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
CN-117957123-A Thermosensitive recording medium 王子控股株式会社 2024-04-30 CN disclosed
CN-116490375-A Thermosensitive recording medium 王子控股株式会社 2023-07-25 CN disclosed
CN-105283316-A Thermosensitive recording medium OJI HOLDINGS CORP 2016-01-27 CN disclosed