SCHEMBL29551982

SCHEMBL29551982

O=C(O)[C@@H](O)Cc1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.56
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PTPRB P23467 1/20 0.37
PTPRA P18433 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
RECQL P46063 1/20 0.36
SLC7A5 Q01650 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL20586356 1.00 KDM6B (0.56) KDM6BPPARGPPARAPTPRBPTPRA
SCHEMBL18248036 1.00 KDM6B (0.56) KDM6BPPARGPPARAPTPRBPTPRA
SCHEMBL17336531 0.86 LDHA (0.47) KDM6BPPARGPPARAPTPRBKDM4E
SCHEMBL2166889 0.84 KDM6B (0.61) KDM6BPPARAPTPRAKDM4EUSP2
SCHEMBL7230282 0.84 KDM6B (0.61) KDM6BPPARGPPARAPTPRA
SCHEMBL7711037 0.84 KDM6B (0.61) KDM6BPPARGPPARAPTPRA
SCHEMBL2166894 0.84 KDM6B (0.61) KDM6BPPARAPTPRAKDM4EUSP2
SCHEMBL27410905 0.84 KDM6B (0.38) KDM6BPPARGPPARAPTPRBPTGS1
SCHEMBL29552177 0.82 SLC7A5 (0.57) KDM4EUSP2EGFRLCKFYN
SCHEMBL18248167 0.82 SLC7A5 (0.57) KDM4EUSP2EGFRLCKFYN

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
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed