SCHEMBL9579482

SCHEMBL9579482

C=C(C)CC(C)(C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.34
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL15074875 0.81 TET2 (0.43) TET2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL13623135 0.79 TET2 (0.32) TET2GAA
SCHEMBL9015652 0.77 ALDH1A1 (0.37) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10883335 0.75 TET2 (0.34) TET2TSHR
SCHEMBL19400457 0.75 TET2 (0.30) TET2
SCHEMBL2178900 0.74 HMGCR (0.52) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL11258432 0.74 TDP1 (0.33) TET2TDP1HSD17B10
SCHEMBL15188580 0.74 HSD17B10 (0.33) TET2TDP1HSD17B10
SCHEMBL22167507 0.72 TDP1 (0.32) TDP1HSD17B10
SCHEMBL13544793 0.72 LMNA (0.38) GAAHMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568367-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
EP-0381964-B1 PROCESS FOR THE PREPARATION OF POLYUNSATURATED CYCLIC COMPOUNDS FIRMENICH SA (CH) 1993-03-17 EP disclosed
US-4967033-A Process for the preparation of polyunsaturated cyclic compounds FIRMENICH S.A. (CH) 1990-10-30 US disclosed
EP-0381964-A1 Process for the preparation of polyunsaturated cyclic compounds FIRMENICH SA (CH) 1990-08-16 EP disclosed