SCHEMBL28027985

SCHEMBL28027985

COC1c2c(cc(C)c(-c3cccc(CO)c3)c2C)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.35
MAP2K4 P45985 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR2 P34972 1/20 0.32
PTGER4 P35408 1/20 0.31
TGFBR1 P36897 1/20 0.31
FFAR1 O14842 7/20 0.31
HTR7 P34969 1/20 0.30
KDR P35968 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL28027418 0.89 PRKCI (0.34) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28122552 0.73 PRKCI (0.35) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28027396 0.72 FFAR1 (0.40) FFAR1
SCHEMBL28838506 0.71 PRKCI (0.38) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28027417 0.71 PRKCI (0.34) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28027950 0.71 ALDH1A1 (0.35) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28122540 0.70 PRKCI (0.37) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28122530 0.70 PRKCI (0.35) PRKCIMAP2K4NR1H2NR1H3ALDH1A1
SCHEMBL28028084 0.69 TGFBR1 (0.40) PRKCIMAP2K4ALDH1A1CNR2PTGER4
SCHEMBL28027986 0.68 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