SCHEMBL9796952

SCHEMBL9796952

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL9796959 1.00 GAA (0.36) GAAMGAMSIMGAM2HSD11B1
SCHEMBL9796690 0.80 GAA (0.36) GAAMGAMSIMGAM2HSD11B1
SCHEMBL11067626 0.79 ALDH1A1 (0.37) GAAMGAMSIMGAM2HSD11B1
SCHEMBL28757029 0.77 GAA (0.40) GAAMGAMSIMGAM2HSD11B1
SCHEMBL11061849 0.77 PPARA (0.44) HSD11B1ALDH1A1CYP1A2KMT2A
SCHEMBL11064652 0.76 MGAM (0.33) GAAMGAMSIMGAM2HSD11B1
SCHEMBL11064648 0.76 MGAM (0.33) GAAMGAMSIMGAM2HSD11B1
SCHEMBL11059683 0.76 GAA (0.39) GAAMGAMSIMGAM2HSD11B1
SCHEMBL10837376 0.75 MGAM (0.32) GAAMGAMSIMGAM2HSD11B1
SCHEMBL10837382 0.75 MGAM (0.32) GAAMGAMSIMGAM2HSD11B1

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 6 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
US-4113968-A FROM A 1-HALO-3-ALKENE-2-OL KURARAY CO., LTD. (JP) 1978-09-12 US disclosed