SCHEMBL9599728

SCHEMBL9599728

C=CC(C)(CCC=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TRPC6 Q9Y210 1/20 0.35
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
Linalyl Acetate SCHEMBL15745425 0.84 ALOX15 (0.52) GAATRPC6ALOX15HIF1AEPAS1
Linalyl Acetate SCHEMBL901206 0.84 ALOX15 (0.52) GAATRPC6ALOX15HIF1AEPAS1
Linalyl Acetate SCHEMBL58028 0.84 ALOX15 (0.52) GAATRPC6ALOX15HIF1AEPAS1
Linalyl Acetate SCHEMBL15745424 0.84 ALOX15 (0.52) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL11131174 0.83 BTN3A1 (0.38) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL11131175 0.83 BTN3A1 (0.38) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL29619766 0.81 ALOX15 (0.38) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL31412795 0.81 ALOX15 (0.38) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL1472631 0.81 ALOX15 (0.38) GAATRPC6ALOX15HIF1AEPAS1
SCHEMBL1472630 0.81 ALOX15 (0.38) GAATRPC6ALOX15HIF1AEPAS1

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
JP-5339252-A None JP disclosed
JP-H05339252-A PRODUCTION OF LILAC ALDEHYDE T HASEGAWA CO LTD 1993-12-21 JP disclosed