SCHEMBL23218010

SCHEMBL23218010

CC1(C)OB(c2ccc3ncc(CCNC(=O)O)nc3c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
DGAT1 O75907 1/20 0.38
HIF1A Q16665 3/20 0.37
LIPG Q9Y5X9 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CXCR2 P25025 1/20 0.34
LPL P06858 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL24311925 0.85 DGAT1 (0.40) DGAT1LIPGNPC1RAB9A
SCHEMBL23217904 0.77 CA1 (0.41) CA1CA2CA9DGAT1HIF1A
SCHEMBL18614454 0.75 LPL (0.37) DGAT1LIPGIDO1TDO2LPL
SCHEMBL23218017 0.75 HIF1A (0.39) DGAT1HIF1AIDO1TDO2PRMT5
SCHEMBL1817315 0.74 IRAK4 (0.47) CA1CA2CA9LIPGIDO1
SCHEMBL13180214 0.73 LPL (0.39) DGAT1HIF1ALIPGIDO1TDO2
SCHEMBL1684672 0.73 CA1 (0.61) CA1CA2CA9LIPGCXCR2
SCHEMBL14022001 0.73 LPL (0.39) CA1CA2CA9LIPGIDO1
SCHEMBL2144580 0.72 MTNR1A (0.42) DGAT1HIF1AGSK3AGSK3BNPC1
SCHEMBL2144110 0.72 MTNR1A (0.49) CA1CA2CA9DGAT1HIF1A

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
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed