SCHEMBL23706404

SCHEMBL23706404

COc1c(C=CC(=O)O)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 8/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
PKM P14618 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
APEX1 P27695 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23706403 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3749166 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3749174 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL22660986 0.75 KDM4E (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL28793561 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL30425664 0.66 KDM4E (0.77) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL31402521 0.66 KDM4E (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL16093502 0.65 CYP1A2 (0.44) ALDH1A1KDM4EHPGDATMMAPK1
SCHEMBL6852630 0.63 ABCG2 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL6852627 0.63 ABCG2 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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
WO-2021153705-A1 EXTERNAL SKIN PREPARATION 花王株式会社 2021-08-05 WO disclosed