SCHEMBL28354473

SCHEMBL28354473

COc1ccc(CN(c2cc(B3OC(C)(C)C(C)(C)O3)cnc2OC)S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
APLNR P35414 3/20 0.41
UCHL1 P09936 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DGAT1 O75907 2/20 0.35
SNCA P37840 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
CYP19A1 P11511 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
PTPN1 P18031 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL28574139 0.82 ALPL (0.43) ALPLCA1CA2CA9DGAT1
SCHEMBL24576804 0.79 ALPL (0.47) ALPLCA1CA2CA9DGAT1
SCHEMBL798868 0.77 ALPL (0.45) ALPLCA1CA2CA9DGAT1
SCHEMBL24092455 0.77 APLNR (0.46) APLNRALDH1A1NPC1CNR1CNR2
SCHEMBL29778784 0.72 DGAT1 (0.39) ALPLUCHL1DGAT1SNCAALDH1A1
SCHEMBL23641247 0.72 DGAT1 (0.39) ALPLUCHL1DGAT1SNCAALDH1A1
SCHEMBL2376356 0.72 LMNA (0.47) APLNRUCHL1CA1CA2CA9
SCHEMBL21327428 0.72 DGAT1 (0.47) ALPLUCHL1DGAT1SNCANPC1
SCHEMBL24696660 0.72 DGAT1 (0.38) ALPLAPLNRUCHL1DGAT1SNCA
SCHEMBL30039774 0.72 DGAT1 (0.38) ALPLAPLNRUCHL1DGAT1SNCA

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-110785420-B Oxazepin derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2022-04-26 CN disclosed
CN-110785420-A Oxazabenzopyrazole derivatives as inhibitors of PI 3-kinase activity 葛兰素史克知识产权开发有限公司 2020-02-11 CN disclosed