SCHEMBL28028084

SCHEMBL28028084

Cc1cc2c(c(C)c1-c1cccc(CO)c1)C(=O)C1(CC1)O2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PRKCI P41743 1/20 0.36
CNR2 P34972 2/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAP2K4 P45985 1/20 0.34
PTGER4 P35408 3/20 0.34
DHODH Q02127 1/20 0.34
CHEK1 O14757 2/20 0.33
WEE1 P30291 1/20 0.33
PARP1 P09874 1/20 0.33
FFAR1 O14842 1/20 0.33
CALML3 P27482 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL28027950 0.81 ALDH1A1 (0.35) TGFBR1ALDH1A1PRKCICNR2PDCD1
SCHEMBL28122537 0.80 PDCD1 (0.31) PDCD1CD274
SCHEMBL28027367 0.77 ALDH1A1 (0.39) TGFBR1ALDH1A1PRKCICNR2PDCD1
SCHEMBL28122540 0.75 PRKCI (0.37) TGFBR1ALDH1A1PRKCICNR2CHRNB4
SCHEMBL28838506 0.72 PRKCI (0.38) TGFBR1ALDH1A1PRKCICNR2CHRNB4
SCHEMBL28122552 0.71 PRKCI (0.35) TGFBR1ALDH1A1PRKCICNR2CHRNB4
SCHEMBL28027431 0.71 CD274 (0.42) TGFBR1ALDH1A1PRKCICNR2CHRNB4
SCHEMBL28027417 0.70 PRKCI (0.34) TGFBR1ALDH1A1PRKCICNR2CHRNB4
SCHEMBL28027986 0.69 MAOA (0.41) PRKCICNR2MAP2K4
SCHEMBL28027985 0.69 PRKCI (0.35) TGFBR1ALDH1A1PRKCICNR2MAP2K4

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