SCHEMBL28994842

SCHEMBL28994842

O=C(Cl)Cc1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SELL P14151 1/20 0.41
▸ SELP P16109 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HK2 P52789 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6789908 0.82 CA2 (0.45) SELLSELPESR1ADORA3NPY1R
SCHEMBL22982305 0.81 SELL (0.44) SELLSELPESR1ADORA3NPY1R
SCHEMBL31618870 0.81 SELL (0.44) SELLSELPESR1ADORA3NPY1R
SCHEMBL8685874 0.79 AKR1B1 (0.58) SELLSELPKDM4ETHPOHSD17B10
SCHEMBL30940438 0.79 AKR1B1 (0.58) SELLSELPKDM4ETHPOHSD17B10
SCHEMBL660344 0.77 IAPP (0.46) SELLSELPESR1ADORA3NPY1R
SCHEMBL9130849 0.76 IAPP (0.44) SELLSELPESR1ADORA3NPY1R
Potassium Ion SCHEMBL30940435 0.76 NR4A1 (0.41) SELLSELPESR1ADORA3NPY1R
Lithium Ion SCHEMBL30940412 0.76 SELL (0.40) SELLSELPESR1ADORA3NPY1R
SCHEMBL28467454 0.74 IAPP (0.49) SELLSELPESR1ADORA3NPY1R

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
CN-115850225-A Application of hesperidin and method for semi-synthesizing chrysin by using hesperidin derivative 三原润禾生物科技有限公司 2023-03-28 — — CN disclosed
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