SCHEMBL22711541

SCHEMBL22711541

CCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl.Cc1c(C(F)(F)F)cnn(-c2cc(OCC(=O)O)c(Cl)cc2F)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.50
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
PPARD Q03181 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
SCHEMBL39032 0.96 PPOX (0.53) PPOXGAAPKML3MBTL1MEN1
SCHEMBL39165 0.94 PPOX (0.40) PPOXPKMMEN1MAPTKMT2A
SCHEMBL4681591 0.90 PPOX (0.47) PPOXGAAPKML3MBTL1MEN1
SCHEMBL4677084 0.90 PPOX (0.46) PPOXGAAPKML3MBTL1MEN1
SCHEMBL4678346 0.89 PPOX (0.45) PPOXGAAPKML3MBTL1MEN1
SCHEMBL4681580 0.88 LMNA (0.44) PPOXGAAPKML3MBTL1MEN1
SCHEMBL7771312 0.87 PPOX (0.42) PPOXGAAPKML3MBTL1MEN1
SCHEMBL5969640 0.86 PPOX (0.40) PPOXGAAPKMMAPTNPSR1
SCHEMBL4678823 0.86 PPOX (0.43) PPOXGAAKDM4EALDH1A1TDP1
SCHEMBL4683126 0.86 PPOX (0.41) PPOXGAAPKML3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743411-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF CYCLOPENTENYL CARBOXYLIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-12-02 EP disclosed
CN-104011031-B N-(tetrazolium-5-base) aryl carboxylic acid amides of 5-phenyl-replacement and N-(triazole-5-base) aryl carboxylic acid amides, and the purposes as herbicide 拜耳知识产权有限责任公司 2016-07-06 CN disclosed