SCHEMBL29286402

SCHEMBL29286402

COc1cccc(OC(=O)OC(C)=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN1 P18031 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL2160010 0.87 NFE2L2 (0.56) NFE2L2KDM4EHPGDLMNACA12
SCHEMBL3327023 0.85 MAPK1 (0.58) NFE2L2KDM4EHPGDLMNAMAPK1
SCHEMBL2160012 0.78 NFE2L2 (0.54) NFE2L2KDM4EHPGDLMNAMAPK1
SCHEMBL6963260 0.78 NFE2L2 (0.54) NFE2L2KDM4EHPGDLMNACA12
SCHEMBL2875254 0.78 MAPK1 (0.62) NFE2L2KDM4EHPGDLMNAMAPK1
Acetamide SCHEMBL9643066 0.77 NFE2L2 (0.53) NFE2L2KDM4EHPGDLMNAMAPK1
SCHEMBL3755885 0.77 MAPK1 (0.56) NFE2L2KDM4EHPGDLMNAMAPK1
SCHEMBL14471561 0.77 NFE2L2 (0.51) NFE2L2KDM4EHPGDLMNACA12
SCHEMBL3624482 0.77 NFE2L2 (0.53) NFE2L2KDM4EHPGDLMNACA12
SCHEMBL25304559 0.76 NFE2L2 (0.53) NFE2L2KDM4EHPGDLMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113271917-A Hair care and conditioning composition 莱雅公司 2021-08-17 CN disclosed