SCHEMBL30452382

SCHEMBL30452382

CCOC(=O)CNC(=O)c1ncc(OS(=O)(=O)C(F)(F)F)c(C)c1OCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.33
EGLN1 Q9GZT9 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MLYCD O95822 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
VEGFA P15692 1/20 0.32
FLT1 P17948 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL30452393 0.93 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL24257741 0.88 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL24257616 0.81 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL29248991 0.76 PTPN1 (0.33)
SCHEMBL30454061 0.75 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL29248902 0.75 EGLN1 (0.45) EGLN1VEGFAFLT1EGLN3
SCHEMBL26260138 0.74 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL26263986 0.73 EGLN1 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL16181326 0.72 EGLN1 (0.48) SMN1; SMN2RAB9ANPC1EGLN1VEGFA
SCHEMBL14150780 0.72 EGLN1 (0.47) SMN1; SMN2RAB9ANPC1EGLN1VEGFA

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
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed