Sugi Predict

Sugi Predict / Compounds / SCHEMBL4877586

SCHEMBL4877586

SCHEMBL4877586

COCCN1CCCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ SLC6A1 P30531 4/20 0.48
▸ LTA4H P09960 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ SLC6A9 P48067 3/20 0.39
▸ PTGER4 P35408 3/20 0.39
▸ PTGER2 P43116 2/20 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
SCHEMBL4959163 0.95 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HGBA1SLC6A9
SCHEMBL6568062 0.95 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HGBA1SLC6A9
SCHEMBL4959171 0.95 LTA4H (0.45) SMN1; SMN2SLC6A1LTA4HGBA1SLC6A9
SCHEMBL22585402 0.86 LTA4H (0.42) SMN1; SMN2SLC6A1LTA4HSLC6A9
SCHEMBL16418017 0.85 SMN1; SMN2 (0.43) SMN1; SMN2SLC6A1LTA4HSLC6A9
SCHEMBL23920574 0.83 SMN1; SMN2 (0.41) SMN1; SMN2SLC6A1LTA4HSLC6A9
SCHEMBL6782112 0.81 KDM4E (0.56) SMN1; SMN2LTA4H
SCHEMBL23551811 0.81 KCNK3 (0.54) SMN1; SMN2SLC6A1
SCHEMBL669604 0.81 KCNK3 (0.54) SMN1; SMN2SLC6A1
SCHEMBL28148146 0.81 KCNK3 (0.54) SMN1; SMN2SLC6A1

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
US-7375105-B2 Pyridine substituted furan derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-05-20 — — US disclosed