SCHEMBL8019772

SCHEMBL8019772

COC(=O)C1(O)CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
KCNA3 P22001 2/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL390361 0.81
SCHEMBL12462742 0.80 NPSR1 (0.38) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL3880676 0.78 FFAR3 (0.37) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL15867796 0.78 MAPK1 (0.33) CYP4F2CYP4A11
SCHEMBL2069818 0.78 POLB (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL15967442 0.77 NPSR1 (0.35) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL3972954 0.77 NPSR1 (0.35) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL15166837 0.77 NPSR1 (0.35) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL15166693 0.77 NPSR1 (0.35) NPSR1SMN1; SMN2KCNA3LMNAMEN1
SCHEMBL374351 0.77 NPSR1 (0.52) NPSR1LMNAMEN1KMT2ACYP4F2

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-0971888-A1 2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-01-19 EP disclosed
WO-1998041500-A1 2-ALKYL-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-09-24 WO disclosed