SCHEMBL28928690

SCHEMBL28928690

COc1ccc(C=CC(=O)OC(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.47
AKR1B10 O60218 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5179255 0.84 KDM4E (0.76) KDM4EMAPTSMN1; SMN2CA12CA1
SCHEMBL4849636 0.82 CA12 (0.49) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL1883771 0.81 ABCG2 (0.62) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL1883772 0.81 ABCG2 (0.62) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL1879260 0.79 ABCG2 (0.49) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL1879263 0.79 ABCG2 (0.49) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL19244299 0.78 NFE2L2 (0.66) KDM4EMAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL15836 0.78 NFE2L2 (0.66) KDM4EMAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL4884740 0.73 MAPT (0.48) KDM4EMAPTSMN1; SMN2GLAHTT
SCHEMBL28658482 0.73 CA12 (0.46) KDM4EMAPTSMN1; SMN2GLAHTT

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-117279610-A Skin external composition containing ultraviolet wavelength conversion substance and alkylene oxide derivative 株式会社资生堂 2023-12-22 CN disclosed
CN-113692288-A Oil-in-water emulsion composition containing ultraviolet wavelength converting substance 株式会社资生堂 2021-11-23 CN disclosed