SCHEMBL28459672

SCHEMBL28459672

CCCCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.61
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL28591660 1.00 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29080579 0.94 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28417547 0.92 ESR1 (0.59) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2292179 0.87 ESR1 (0.63) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Octadecyl Gallate SCHEMBL29648937 0.86 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Octyl_Gallate SCHEMBL29883664 0.86 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Dodecyl Gallate SCHEMBL20450222 0.86 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Hexadecyl Gallate SCHEMBL29376835 0.86 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Dodecyl Gallate SCHEMBL2328908 0.86 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28941374 0.83 CYP3A4 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113842496-B Wound surface liquid dressing and preparation method thereof 五峰赤诚生物科技股份有限公司 2022-07-29 CN claimed
CN-113842496-B Wound surface liquid dressing and preparation method thereof 五峰赤诚生物科技股份有限公司 2022-07-29 CN disclosed
CN-113842496-B Wound surface liquid dressing and preparation method thereof 五峰赤诚生物科技股份有限公司 2022-07-29 CN disclosed
CN-111560180-B Composition, cured product and article 荒川化学工业株式会社 2022-07-05 CN disclosed
CN-113842496-A Wound surface liquid dressing and preparation method thereof 五峰赤诚生物科技股份有限公司 2021-12-28 CN disclosed
CN-113842496-A Wound surface liquid dressing and preparation method thereof 五峰赤诚生物科技股份有限公司 2021-12-28 CN disclosed
CN-111560180-A Composition, cured product and article 荒川化学工业株式会社 2020-08-21 CN disclosed