SCHEMBL28049294

SCHEMBL28049294

CCC(Oc1ccccc1)C(=O)O.Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PPARG P37231 16/20 0.52
PPARA Q07869 16/20 0.52
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8852972 0.89 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARA
SCHEMBL8935652 0.87 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARANPSR1
SCHEMBL826322 0.87 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARANPSR1
SCHEMBL28825718 0.84 PPARG (0.43) SMN1; SMN2PPARGPPARANPSR1
SCHEMBL4651839 0.82 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARA
SCHEMBL295888 0.82 SMN1; SMN2 (0.64) SMN1; SMN2PPARGPPARA
Hydrochloric Acid SCHEMBL11617632 0.81 SMN1; SMN2 (0.62) SMN1; SMN2PPARGPPARA
SCHEMBL8853494 0.78 TSHR (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL3028298 0.78 PPARA (0.68) SMN1; SMN2PPARGPPARA
SCHEMBL28669667 0.78 PPARG (0.65) SMN1; SMN2PPARGPPARA

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
CN-107668047-A A kind of ternary weeding composition containing pyraflufen-ethyl 陕西上格之路生物科学有限公司 2018-02-09 CN claimed
CN-105248433-A Weeding compound containing 2-methyl-4-chloro-phenoxyacetic acid and oxaziclomefone JIANGSU HUIFENG AGROCHEMICAL CO LTD 2016-01-20 CN claimed
CN-107668047-A A kind of ternary weeding composition containing pyraflufen-ethyl 陕西上格之路生物科学有限公司 2018-02-09 CN disclosed
CN-107624776-A A kind of ternary weeding composition containing pyraflufen-ethyl 陕西上格之路生物科学有限公司 2018-01-26 CN disclosed
CN-105248433-A Weeding compound containing 2-methyl-4-chloro-phenoxyacetic acid and oxaziclomefone JIANGSU HUIFENG AGROCHEMICAL CO LTD 2016-01-20 CN disclosed