SCHEMBL9796983

SCHEMBL9796983

CCOC(=O)CC(C)(C)/C=C/CCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9796991 1.00 ALDH1A1 (0.42) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9797156 0.86 GAA (0.39) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9797151 0.86 GAA (0.39) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796982 0.86 ALDH1A1 (0.45) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796984 0.86 ALDH1A1 (0.45) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796760 0.82 NR1I2 (0.42) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796754 0.82 NR1I2 (0.42) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796701 0.77 GAA (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL9796704 0.77 GAA (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL8759255 0.74 GAA (0.44) ALDH1A1TRPA1GAAMGAMSI

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