SCHEMBL9796754

SCHEMBL9796754

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 1/20 0.39
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL9796760 1.00 NR1I2 (0.42) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796984 0.85 ALDH1A1 (0.45) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9797156 0.85 GAA (0.39) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9797151 0.85 GAA (0.39) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796982 0.85 ALDH1A1 (0.45) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796701 0.82 GAA (0.43) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796704 0.82 GAA (0.43) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796983 0.82 ALDH1A1 (0.42) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9796991 0.82 ALDH1A1 (0.42) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL8759255 0.80 GAA (0.44) NR1I2PGRADORA3PTGS2PDE4D

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