SCHEMBL28027418

SCHEMBL28027418

CCOC1c2c(cc(C)c(-c3cccc(CO)c3)c2C)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
TGFBR1 P36897 1/20 0.32
MAP2K4 P45985 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR1 O14842 6/20 0.31
PTGER4 P35408 1/20 0.30

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
SCHEMBL28027985 0.89 PRKCI (0.35) PRKCITGFBR1MAP2K4NR1H2NR1H3
SCHEMBL28027381 0.82 BRD4 (0.39)
SCHEMBL28028059 0.74 PRKCI (0.34) PRKCIS1PR1S1PR3MAP2K4NR1H2
SCHEMBL28027406 0.70 FFAR1 (0.33) PRKCIS1PR1S1PR3MAP2K4NR1H2
SCHEMBL28838506 0.70 PRKCI (0.38) PRKCITGFBR1MAP2K4NR1H2NR1H3
SCHEMBL28028011 0.69 BRD4 (0.41) ALDH1A1
SCHEMBL28122552 0.69 PRKCI (0.35) PRKCIS1PR1TGFBR1MAP2K4NR1H2
SCHEMBL28122540 0.68 PRKCI (0.37) PRKCITGFBR1MAP2K4NR1H2NR1H3
SCHEMBL28028084 0.68 TGFBR1 (0.40) PRKCITGFBR1MAP2K4ALDH1A1CNR2
SCHEMBL28027986 0.67 MAOA (0.41) PRKCIMAP2K4CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870429-B Benzofuran derivative, preparation method therefor, and medical application thereof 四川海思科制药有限公司 2017-05-03 CN disclosed
CN-104870429-A Benzofuran derivative, preparation method therefor, and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-08-26 CN disclosed