SCHEMBL28028059

SCHEMBL28028059

CCOC1Cc2c(cc(C)c(-c3cccc(CO)c3)c2C)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
FFAR1 O14842 11/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAP2K4 P45985 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL28027986 0.83 MAOA (0.41) PRKCIMAP2K4MAOAMAOBCNR2
SCHEMBL28027404 0.82 BRD4 (0.39)
SCHEMBL28122530 0.81 PRKCI (0.35) PRKCIFFAR1S1PR1MAP2K4NR1H2
SCHEMBL28027418 0.74 PRKCI (0.34) PRKCIFFAR1S1PR1S1PR3MAP2K4
SCHEMBL28027431 0.73 CD274 (0.42) PRKCIFFAR1MAP2K4ALDH1A1CNR2
SCHEMBL28027406 0.72 FFAR1 (0.33) PRKCIFFAR1S1PR1S1PR3MAP2K4
SCHEMBL28122552 0.71 PRKCI (0.35) PRKCIFFAR1S1PR1MAP2K4NR1H2
SCHEMBL28122540 0.70 PRKCI (0.37) PRKCIFFAR1MAP2K4NR1H2NR1H3
SCHEMBL28027417 0.70 PRKCI (0.34) PRKCIFFAR1MAP2K4NR1H2NR1H3
SCHEMBL28838506 0.68 PRKCI (0.38) PRKCIFFAR1MAP2K4NR1H2NR1H3

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-104870429-A Benzofuran derivative, preparation method therefor, and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-08-26 CN disclosed