SCHEMBL23217904

SCHEMBL23217904

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
GCG P01275 2/20 0.38
HPGDS O60760 3/20 0.37
CXCR2 P25025 1/20 0.37
DGAT1 O75907 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR2 P34972 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MAOB P27338 1/20 0.36
ALPL P05186 1/20 0.35

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
SCHEMBL24311927 0.85 HPGDS (0.41) CA1CA2CA9HPGDSDGAT1
SCHEMBL23218017 0.81 HIF1A (0.39) DGAT1HIF1AALDH1A1ALPL
SCHEMBL3451006 0.80 ALOX15 (0.44) HPGDSCXCR2DGAT1HIF1AALDH1A1
SCHEMBL23218010 0.77 CA1 (0.38) CA1CA2CA9CXCR2DGAT1
SCHEMBL26623600 0.77 P4HB (0.38) CXCR2DGAT1HIF1AALPL
SCHEMBL20392741 0.74 CYP1A2 (0.45) HIF1AALPL
SCHEMBL26623561 0.73 RAB9A (0.54) DGAT1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL23262307 0.73 HTT (0.50) DGAT1ALDH1A1MAPTMAPK1ALPL
SCHEMBL2144110 0.72 MTNR1A (0.49) CA1CA2CA9DGAT1HIF1A
SCHEMBL30657968 0.71 DGAT1 (0.39) 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