SCHEMBL10977620

SCHEMBL10977620

C=CC(C)(CC/C=C(\C)CO)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 11/20 0.38
ALOX15 P16050 3/20 0.37
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
TRPC6 Q9Y210 1/20 0.33
LMNA P02545 1/20 0.31
CYP3A4 P08684 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
SCHEMBL10977628 1.00 BTN3A1 (0.38) BTN3A1ALOX15GAAHIF1AEPAS1
SCHEMBL1628421 0.89 ALOX15 (0.38) ALOX15GAAHIF1AEPAS1TRPC6
SCHEMBL1472631 0.89 ALOX15 (0.38) ALOX15GAAHIF1AEPAS1TRPC6
SCHEMBL1472630 0.89 ALOX15 (0.38) ALOX15GAAHIF1AEPAS1TRPC6
SCHEMBL29619766 0.89 ALOX15 (0.38) ALOX15GAAHIF1AEPAS1TRPC6
SCHEMBL31412795 0.89 ALOX15 (0.38) ALOX15GAAHIF1AEPAS1TRPC6
Linalyl Acetate SCHEMBL58028 0.85 ALOX15 (0.52) BTN3A1ALOX15GAAHIF1AEPAS1
Linalyl Acetate SCHEMBL15745424 0.85 ALOX15 (0.52) BTN3A1ALOX15GAAHIF1AEPAS1
Linalyl Acetate SCHEMBL15745425 0.85 ALOX15 (0.52) BTN3A1ALOX15GAAHIF1AEPAS1
Linalyl Acetate SCHEMBL901206 0.85 ALOX15 (0.52) BTN3A1ALOX15GAAHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58140032-A None JP disclosed
US-4510319-A ROGANOLEPTICS FRITZSCHE DODGE & OLCOTT INC. (US) 1985-04-09 US disclosed
JP-S58140032-A 2,6-DIMETHYL-2,7-OCTADIENE-1,6-DIOL AND UTILIZATION THEREOF T HASEGAWA CO LTD 1983-08-19 JP disclosed