SCHEMBL9503597

SCHEMBL9503597

CC(C)OP(=O)(CC(=O)Nc1cccc(COC(=O)CP(=O)(OC(C)C)OC(C)C)c1)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL9504743 0.85 NPSR1 (0.47) NPSR1SMN1; SMN2KDM1ARCOR1
SCHEMBL9502834 0.84 NPSR1 (0.46) NPSR1SMN1; SMN2PPARG
SCHEMBL9502840 0.71 NPSR1 (0.54) NPSR1SLC1A2SLC1A1PPARG
SCHEMBL6108608 0.68 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL9815416 0.66 RAB9A (0.63) NPSR1SIRT2SIRT3MAOB
SCHEMBL2720165 0.64 MGAM (0.43)
SCHEMBL4465319 0.64 ALDH1A1 (0.56)
SCHEMBL2717779 0.64 POLB (0.40)
SCHEMBL8930610 0.64 RAB9A (0.44) SLC1A2SLC1A1
SCHEMBL3475313 0.63 ALDH1A1 (0.54)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed