SCHEMBL28659593

SCHEMBL28659593

COc1cc(CC(CO)C(CO)Cc2ccc3c(c2)OCO3)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.78
MAPT P10636 2/20 0.77
GAA P10253 1/20 0.77
ATM Q13315 1/20 0.77
MMP1 P03956 1/20 0.72
CYP2D6 P10635 1/20 0.70
KCNH2 Q12809 1/20 0.53
FOS P01100 1/20 0.52
TTR P02766 1/20 0.52
JUN P05412 1/20 0.52
NR3C1 P04150 1/20 0.52
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
APP P05067 1/20 0.49
PPARA Q07869 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
TAAR1 Q96RJ0 2/20 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
Austrobailignan 6 SCHEMBL1783132 0.87 GAA (1.00) CYP3A4MAPTGAAATMMMP1
Austrobailignan 6 SCHEMBL13772405 0.87 GAA (1.00) CYP3A4MAPTGAAATMMMP1
Austrobailignan 6 SCHEMBL29929564 0.87 GAA (1.00) CYP3A4MAPTGAAATMMMP1
Austrobailignan 6 SCHEMBL31238164 0.87 GAA (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL31677395 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL29617981 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL29363814 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL325398 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL21028109 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1
(+)-Secoisolariciresinol SCHEMBL30605875 0.85 CYP3A4 (1.00) CYP3A4MAPTGAAATMMMP1

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
CN-107802676-B Lilac extract and preparation method and application thereof 甘肃奇正藏药有限公司 2021-07-06 CN claimed
CN-107802674-B Lilac extract and preparation method and application thereof 甘肃奇正藏药有限公司 2021-07-06 CN claimed
CN-107802676-B Lilac extract and preparation method and application thereof 甘肃奇正藏药有限公司 2021-07-06 CN disclosed
CN-107802674-B Lilac extract and preparation method and application thereof 甘肃奇正藏药有限公司 2021-07-06 CN disclosed
CN-107802674-B Lilac extract and preparation method and application thereof 甘肃奇正藏药有限公司 2021-07-06 CN disclosed