SCHEMBL6624862

SCHEMBL6624862

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
APLNR P35414 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.46
CA2 P00918 1/20 0.45
PKM P14618 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
SCHEMBL10964699 0.84 MEN1 (0.57) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL6624872 0.83 HSD17B10 (0.54) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL1097902 0.81 HSD17B10 (0.75) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL267732 0.81 CYP3A4 (0.62) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL29392677 0.81 CYP3A4 (0.62) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL30831943 0.81 HSD17B10 (0.75) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL4687391 0.80 KMT2A (0.59) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL3456256 0.80 KMT2A (0.56) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL1097812 0.80 KMT2A (0.56) KMT2AMEN1APLNRHSD17B10ALDH1A1
SCHEMBL6167176 0.80 KMT2A (0.56) KMT2AMEN1APLNRHSD17B10ALDH1A1

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