SCHEMBL1649012

SCHEMBL1649012

CC1(C)CCC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.74
CES1 P23141 4/20 0.74
ALOX5 P09917 3/20 0.74
PTPN1 P18031 2/20 0.70
PTPN2 P17706 1/20 0.70
ALOX15 P16050 1/20 0.61
USP2 O75604 1/20 0.55
BCL2L1 Q07817 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL1050323 1.00 CES2 (0.74) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL1649013 1.00 CES2 (0.74) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL1721910 0.91 PTPN1 (0.63) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL1721289 0.89 PTPN1 (0.61) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL974587 0.86 PTPN1 (0.73) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL974588 0.86 PTPN1 (0.73) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL31593848 0.86 PTPN1 (0.73) CES2CES1ALOX5PTPN1PTPN2
SCHEMBL6913431 0.86 PTPN1 (0.73) CES2CES1ALOX5PTPN1PTPN2
Katonic Acid SCHEMBL13144259 0.85 CES1 (1.00) CES2CES1ALOX5PTPN1PTPN2
Katonic Acid SCHEMBL14071724 0.85 CES1 (1.00) CES2CES1ALOX5PTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139692-A2 ANTIVIRAL TRITERPENE DERIVATIVES SAVIRA PHARMACEUTICALS GMBH (AT) 2010-12-09 WO claimed
US-20220296544-A1 NANOEMULSION OF 18BETA-GLYCYRRHETINIC ACID PROYECTOS ATSO S.A.P.I. DE C.V. (MX) 2022-09-22 US disclosed
EP-4023219-A1 NANOEMULSION OF 18BETA-GLYCYRRHETINIC ACID Atso Corporate Affairs, S.A. De C.V. (MX) 2022-07-06 EP disclosed
CN-114450001-A 18 beta-glycyrrhetinic acid nano emulsion 亚索事务公司 2022-05-06 CN disclosed
CN-102302502-A Compound glycyrrhizin preparation and preparation method thereof BEIJING QINWUTIAN PHARMACEUTICAL CO LTD 2012-01-04 CN disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
WO-2010139692-A2 ANTIVIRAL TRITERPENE DERIVATIVES SAVIRA PHARMACEUTICALS GMBH (AT) 2010-12-09 WO disclosed
CN-1827634-B Nitrate derivatives of glycyrrhetic acid and glycyrrhetinic acid and pharmaceutical use thereof BEIJING MEIBEITA PHARMACEUTICAL RES CO LTD 2010-09-29 CN disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
CN-1827634-A Nitrate derivatives of glycyrrhetic acid and glycyrrhetinic acid and pharmaceutical use thereof BEIJING MEIBEITA PHARMACEUTICA (CN) 2006-09-06 CN disclosed