SCHEMBL6624872

SCHEMBL6624872

COc1ccc(CC(=O)C(O)=S)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
APLNR P35414 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL6622974 0.84 HSD17B10 (0.54) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL23617043 0.83 APLNR (0.56) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL30831943 0.83 HSD17B10 (0.75) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL1097902 0.83 HSD17B10 (0.75) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL6624862 0.83 KMT2A (0.53) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL10964699 0.83 MEN1 (0.57) HSD17B10KMT2AMEN1APLNRALDH1A1
Hydrochloric Acid SCHEMBL2527027 0.82 HSD17B10 (0.73) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL267732 0.80 CYP3A4 (0.62) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL29392677 0.80 CYP3A4 (0.62) HSD17B10KMT2AMEN1APLNRALDH1A1
SCHEMBL4687391 0.79 KMT2A (0.59) HSD17B10KMT2AMEN1APLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292275-A4 FERULIC ESTER DERIVATIVE, 3,9-DIFERULYLCOUMESTROL AND COSMETIC PRODUCT CONTAINING SAME HANBUL COSMETICS CO LTD (KR) 2004-11-03 EP disclosed
EP-1292275-A1 FERULIC ESTER DERIVATIVE, 3,9-DIFERULYLCOUMESTROL AND COSMETIC PRODUCT CONTAINING SAME Hanbul Cosmetics Co., Ltd (KR) 2003-03-19 EP disclosed
US-6503941-B2 Anti-aging effect, whitening effect and hair-seeding effect HANBUL COSMETICS CO., LTD. (KR) 2003-01-07 US disclosed
US-20020160028-A1 Ferulic ester derivative, 3,9-diferulylcoumestrol and cosmetic product containing same HANBUL COSMETICS CO., LTD. (KR) 2002-10-31 US disclosed
WO-2001097769-A1 FERULIC ESTER DERIVATIVE, 3,9-DIFERULYLCOUMESTROL AND COSMETIC PRODUCT CONTAINING SAME HANBUL COSMETICS CO., LTD. (KR) 2001-12-27 WO disclosed