SCHEMBL28670440

SCHEMBL28670440

CCCCCCCCCCCON1C(C)(C)CC(C(=C(C)C(=O)O)C2CC(C)(C)N(OCCCCCCCCCCC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
THRB P10828 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
S1PR5 Q9H228 8/20 0.34
EPHX2 P34913 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 4/20 0.33

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
SCHEMBL15052675 0.78 HCAR2 (0.35) CES2EPHX2HCAR2
SCHEMBL15052671 0.78 HCAR2 (0.35) CES2EPHX2HCAR2
SCHEMBL28364659 0.77 TSHR (0.36) CES2S1PR5EPHX2HCAR2S1PR1
SCHEMBL14706863 0.77 TSHR (0.45) CES2EPHX2
SCHEMBL15850409 0.77 TSHR (0.45) CES2EPHX2
SCHEMBL9041004 0.76 EPHX2 (0.37) CES2EPHX2
SCHEMBL9226072 0.76 HCAR2 (0.35) CES2S1PR5EPHX2HCAR2S1PR1
SCHEMBL31540858 0.76 EPHX2 (0.37) CES2EPHX2
SCHEMBL15052673 0.75 EPHX2 (0.35) EPHX2HCAR2
SCHEMBL581622 0.75 GBA1 (0.38) EPHX2

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
CN-113552768-A Photosensitive coloring composition, color filter and image display device 东洋油墨SC控股株式会社 2021-10-26 CN disclosed