SCHEMBL23218017

SCHEMBL23218017

CC1(C)OB(c2ccc3ncc(OCCCCNC(=O)O)cc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.39
DGAT1 O75907 2/20 0.37
EP300 Q09472 1/20 0.36
PDE2A O00408 4/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALPL P05186 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
SNCA P37840 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL24311930 0.86 L3MBTL1 (0.43) DGAT1
SCHEMBL2150010 0.81 HIF1A (0.47) HIF1ADGAT1ALDH1A1
SCHEMBL13275325 0.81 LPL (0.41) HIF1ADGAT1ALPLSNCAEGFR
SCHEMBL23217904 0.81 CA1 (0.41) HIF1ADGAT1ALDH1A1ALPL
SCHEMBL13274885 0.80 SNCA (0.41) DGAT1ALDH1A1F2GLAHPGD
SCHEMBL2220666 0.78 SNCA (0.40) HIF1ADGAT1ALDH1A1F2GLA
SCHEMBL1561011 0.78 HIF1A (0.47) HIF1AF2HPGD
SCHEMBL23217957 0.77 KDM4E (0.40) PDE2APDE3BPDE3AALDH1A1F2
SCHEMBL16612477 0.76 L3MBTL1 (0.46) HIF1AALDH1A1HPGD
SCHEMBL20392825 0.75 SNCA (0.50) DGAT1ALDH1A1F2GLAHPGD

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