SCHEMBL28849552

SCHEMBL28849552

COc1ccc(Cc2cccc(O)c2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
LTA4H P09960 1/20 0.47
CALM1 P0DP23 2/20 0.43
KEAP1 Q14145 1/20 0.42
SLC5A2 P31639 3/20 0.41
SLC5A1 P13866 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
VKORC1 Q9BQB6 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL254705 0.82 KEAP1 (0.63) ALOX5LTA4HCALM1KEAP1SLC5A2
SCHEMBL2579095 0.81 ALOX5 (0.54) ALOX5LTA4HCALM1SLC5A1MEN1
SCHEMBL12869627 0.78 LTA4H (0.60) LTA4HSLC5A2SLC5A1MEN1KMT2A
SCHEMBL2577502 0.78 LTA4H (0.50) ALOX5LTA4HCALM1MEN1KMT2A
SCHEMBL11511612 0.77 HSPA5 (0.54) KEAP1MEN1KMT2A
SCHEMBL28842004 0.77 LTA4H (0.53) ALOX5LTA4HSLC5A2SLC5A1
SCHEMBL2580758 0.76 ALOX5 (0.49) ALOX5LTA4HCALM1MEN1KMT2A
SCHEMBL4289115 0.76 ALDH1A1 (0.51) ALOX5LTA4HMEN1KMT2AVKORC1
SCHEMBL2576280 0.76 CALM1 (0.54) ALOX5LTA4HCALM1
SCHEMBL28251912 0.75 LTA4H (0.72) LTA4HMEN1KMT2ACYP11B1CYP11B2

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-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed