SCHEMBL5154627

SCHEMBL5154627

Oc1cccc2c1C(O)(O)C(O)(O)C(O)(c1ccccc1)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
FYN P06241 1/20 0.30
POLB P06746 1/20 0.30
CA3 P07451 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
MMP9 P14780 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL30727395 1.00 NPC1 (0.32) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28514568 0.85 ADAMTS4 (0.33) ALDH1A1EGFRCA2LMNAFYN
SCHEMBL28515636 0.85 ADAMTS4 (0.33) ALDH1A1EGFRCA2LMNAFYN
SCHEMBL28684184 0.85
SCHEMBL28574006 0.80 MEN1 (0.32) MEN1KMT2AKDM4ECA2CYP3A4
SCHEMBL3115931 0.79 CYP2C19 (0.35) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL11335062 0.76 SIRT1 (0.30)
SCHEMBL3698500 0.74 CA1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL30689853 0.74 CA1 (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL17938773 0.69 OPRM1 (0.35) MEN1KMT2AALDH1A1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104140408-A Flavanoid compound and use thereof GUANGDONG MEDICAL COLLEGE 2014-11-12 CN claimed
CN-101857584-B Hydroxyl flavanoid compound and application thereof GUANGDONG DEXIN PHARMACEUTICAL CO LTD 2011-11-09 CN claimed
CN-101857584-A Hydroxyl flavanoid compound and application thereof GUANGDONG DEXIN PHARMACEUTICAL CO LTD 2010-10-13 CN claimed
US-10870605-B2 Refractory molded body, compounds, binders, and method for producing same REFRACTORY INTELLECTUAL PROPERTY GMBH & CO. KG (AT) 2020-12-22 US disclosed
US-20180362408-A1 REFRACTORY MOLDED BODY, COMPOUNDS, BINDERS, AND METHOD FOR PRODUCING SAME REFRACTORY INTELLECTUAL PROPERTY GMBH & CO.KG (AT) 2018-12-20 US disclosed
CN-104140408-A Flavanoid compound and use thereof GUANGDONG MEDICAL COLLEGE 2014-11-12 CN disclosed
CN-102503924-A Flavane (isoflavane) urease inhibitor and synthesis and use thereof UNIV JISHOU 2012-06-20 CN disclosed
CN-101857584-B Hydroxyl flavanoid compound and application thereof GUANGDONG DEXIN PHARMACEUTICAL CO LTD 2011-11-09 CN disclosed
CN-101857584-A Hydroxyl flavanoid compound and application thereof GUANGDONG DEXIN PHARMACEUTICAL CO LTD 2010-10-13 CN disclosed
EP-1261359-A4 AN IMPROVED HERBAL COMPOSITION HAVING ANTIALLERGIC PROPERTIES AND A PROCESS FOR THE PREPARATION THEREOF NATURAL REMEDIES PRIVATE LTD (IN) 2007-04-04 EP disclosed
US-6730332-B2 SYNERGISTIC AQUEOUS EXTRACT FROM FRUITS OF TERMINALIA CHEBULA, BARK OF ALBIZIA LEBBECK, TERMINALIA BELLERICA AND EMBLICA OFFICINALIS NATURAL REMEDIES PVT. LTD. (IN) 2004-05-04 US disclosed
US-20030194452-A1 IMPROVED HERBAL COMPOSITION HAVING ANTIALLERGIC PROPERTIES AND A PROCESS FOR THE PREPARATION THEREOF NATURAL REMEDIES PVT. LTD. (IN) 2003-10-16 US disclosed
EP-1261359-A2 AN IMPROVED HERBAL COMPOSITION HAVING ANTIALLERGIC PROPERTIES AND A PROCESS FOR THE PREPARATION THEREOF Natural Remedies Private Limited (IN) 2002-12-04 EP disclosed
WO-2001064163-A2 AN IMPROVED HERBAL COMPOSITION HAVING ANTIALLERGIC PROPERTIES AND A PROCESS FOR THE PREPARATION THEREOF NATURAL REMEDIES PRIVATE LIMITED (IN) 2001-09-07 WO disclosed