SCHEMBL28030289

SCHEMBL28030289

O=C1Cc2ccc(O)cc2OC1c1ccc(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
RECQL P46063 1/20 0.55
CYP19A1 P11511 4/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
TYR P14679 1/20 0.47
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CHRNA7 P36544 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL2465443 0.89 RECQL (0.49) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL6822731 0.84 TDP1 (0.57) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL677662 0.84 TDP1 (0.57) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL1071070 0.82 ESR2 (0.51) TDP1CYP19A1ESR2ESR1CYP3A4
SCHEMBL3696621 0.80 KDM4E (0.54) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL28035038 0.80 RECQL (0.49) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL13730471 0.79 CYP19A1 (0.49) CYP19A1ESR2ESR1CYP3A4HSD17B10
SCHEMBL130268 0.79 CYP19A1 (0.49) CYP19A1ESR2ESR1CYP3A4HSD17B10
SCHEMBL5082125 0.77 AR (0.53) TDP1RECQLCYP19A1PTGS1PTGS2
SCHEMBL28625919 0.74 HSD17B1 (0.46) CYP19A1ESR2ESR1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001068-A One-step green synthesis method for hydroxychalcone and flavanone UNIV JIANGNAN 2015-10-28 CN claimed
CN-104886241-A A browning inhibitor for fresh-cut fruits and vegetables and a preparation method thereof UNIV JIANGNAN 2015-09-09 CN claimed
CN-113180181-A Browning control method for vacuum-packaged instant lotus root slices 西南科技大学 2021-07-30 CN disclosed
CN-104886241-B A kind of fresh-cut fruit and vegetable browning inhibitor and preparation method thereof 江南大学 2018-06-08 CN disclosed
CN-105001068-A One-step green synthesis method for hydroxychalcone and flavanone UNIV JIANGNAN 2015-10-28 CN disclosed
CN-104886241-A A browning inhibitor for fresh-cut fruits and vegetables and a preparation method thereof UNIV JIANGNAN 2015-09-09 CN disclosed