SCHEMBL2124058

SCHEMBL2124058

COc1ccc(C2CC(=O)c3c(O)cc(OC)c(OC)c3O2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.68
▸ TP53 P04637 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ XDH P47989 2/20 0.68
▸ CYP1A1 P04798 2/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ CYP1B1 Q16678 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ KDM1A O60341 2/20 0.68
▸ HPGD P15428 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ CA12 O43570 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ CA4 P22748 1/20 0.68
▸ DPP4 P27487 1/20 0.68

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
SCHEMBL12878874 0.91 CYP19A1 (0.65) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL28045887 0.87 CYP19A1 (0.78) CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL4466273 0.87 CYP19A1 (0.69) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL4175838 0.87 CYP19A1 (0.69) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL19736057 0.85 CYP19A1 (0.62) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL382207 0.84 TAS2R31 (0.79) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL30912310 0.83 ABCG2 (0.58) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL16894644 0.83 ABCG2 (0.58) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL382208 0.82 CYP19A1 (0.62) CYP19A1TP53CYP3A4XDHCYP1A1
Hesperetin SCHEMBL765368 0.81 CYP19A1 (1.00) CYP19A1TP53CYP3A4XDHCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345660-B2 Micro-emulsions for the treatment of rheumatic disorders SUNEV PHARMA SOLUTION LIMITED (IN) 2016-05-24 — — US disclosed
US-20120093888-A1 MICRO-EMULSIONS FOR THE TREATMENT OF RHEUMATIC DISORDERS SUNEV PHARMA SOLUTION LIMITED (IN) 2012-04-19 — — US disclosed
EP-2437725-A1 TOPICAL MICRO-EMULSIONS FOR THE TREATMENT OF RHEUMATIC DISORDERS Sunev Pharma Solution Limited (IN) 2012-04-11 — — EP disclosed
WO-2010140170-A1 TOPICAL MICRO-EMULSIONS FOR THE TREATMENT OF RHEUMATIC DISORDERS SUNEV PHARMA SOLUTION LIMITED (IN) 2010-12-09 — — WO disclosed
EP-1509223-B1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL SCIENT IND RES (IN) 2008-08-20 — — EP disclosed
EP-1509223-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN Council Of Scientific And Industrial Research (IN) 2005-03-02 — — EP disclosed
US-20040029816-A1 Hepatoprotective activity of 10-O-P-hydroxybenzoyiaucubin COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-02-12 — — US disclosed
WO-2003094911-A1 HEPATOPROTECTIVE ACTIVITY OF 10-O-P-HYDROXYBENZOYIAUCUBIN COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-11-20 — — WO disclosed
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