SCHEMBL9796944

SCHEMBL9796944

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL8759255 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9796699 0.80 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL502032 0.77 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2048261 0.76 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18718160 0.76 ALDH1A1 (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27553970 0.76 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798062 0.75 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21052480 0.75 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.75 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14226494 0.75 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999451-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-03-12 US disclosed
US-4833266-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-05-23 US disclosed
US-4681953-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-07-21 US disclosed
US-4454343-A Intermediates in a process for preparing dihalovinylcyclopropanecarboxylates FMC CORPORATION (US) 1984-06-12 US disclosed
US-4214097-A Process for preparing dihalovinylcyclopropanecarboxylates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1980-07-22 US disclosed