SCHEMBL20117563

SCHEMBL20117563

COc1cc(/C=C/C(=O)C(C)(C)C(=O)/C=C/c2ccc(OC3CCCCO3)c(OC)c2)ccc1OC1CCCCO1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
PDE4B Q07343 2/20 0.52
NFE2L2 Q16236 1/20 0.47
PTPN1 P18031 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
MEN1 O00255 1/20 0.43
SNCA P37840 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL28715666 0.95 KMT2A (0.49) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL26669477 0.89 NFE2L2 (0.62) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL29503029 0.89 NFE2L2 (0.62) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL30531894 0.89 KDM4E (0.60) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL9013036 0.89 KDM4E (0.60) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL24367560 0.89 KDM4E (0.60) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL9972303 0.85 HDAC1 (0.55) KMT2APDE4BNFE2L2PTPN1ALDH1A1
SCHEMBL11959784 0.84 ABCG2 (0.63) KMT2APDE4BPTPN1ALDH1A1HPGD
SCHEMBL24366826 0.84 FDPS (0.59) PDE4BNFE2L2PTPN1ALDH1A1KDM4E
SCHEMBL16093046 0.84 NPC1 (0.57) KMT2APDE4BPTPN1PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532040-B1 A PERSONAL CARE COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2023-11-29 EP disclosed
EP-3532040-B1 A PERSONAL CARE COMPOSITION UNILEVER GLOBAL IP LTD (GB) 2023-11-29 EP disclosed
CN-109890377-B Personal care compositions 联合利华知识产权控股有限公司 2022-03-22 CN disclosed
WO-2018077602-A1 A PERSONAL CARE COMPOSITION UNILEVER N.V. (NL) 2018-05-03 WO disclosed