SCHEMBL4202103

SCHEMBL4202103

CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.71
AKR1B10 O60218 1/20 0.59
AKR1B1 P15121 1/20 0.59
ALOX5 P09917 2/20 0.47
USP2 O75604 1/20 0.47
PTPN2 P17706 6/20 0.46
PTPN6 P29350 2/20 0.46
TOP2A P11388 1/20 0.46

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
Taraxerol SCHEMBL21264264 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
Taraxerol SCHEMBL569463 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
Taraxerol SCHEMBL15491005 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
Taraxerol SCHEMBL14047708 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
Taraxerol SCHEMBL15491002 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
Taraxerol SCHEMBL569464 0.83 PTPN1 (1.00) PTPN1AKR1B10AKR1B1USP2PTPN2
SCHEMBL29934987 0.80 CES2 (0.47) PTPN1AKR1B10AKR1B1PTPN2
Aleuritolic Acid SCHEMBL438408 0.79 PTPN1 (0.70) PTPN1AKR1B10USP2PTPN2PTPN6
Erythrodiol SCHEMBL21183484 0.74 PTPN1 (1.00) PTPN1AKR1B10AKR1B1ALOX5USP2
Erythrodiol SCHEMBL18625203 0.74 PTPN1 (1.00) PTPN1AKR1B10AKR1B1ALOX5USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072473-A1 ANTIMICROBIALS AS FEED PRESERVATIVES IRP Health Pty Ltd (AU) 2021-04-22 WO claimed
US-20090022821-A1 COMPOSITIONS FROM WAX MYRTLE FOR THE TREATMENT OF CANCER, CARDIOVASCULAR AND INFLAMMATORY DISEASES DEV INDERJIT KUMAR 2009-01-22 US claimed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed
WO-2021072473-A1 ANTIMICROBIALS AS FEED PRESERVATIVES IRP Health Pty Ltd (AU) 2021-04-22 WO disclosed
US-10456345-B2 Further preparations of silk proteins, seed oils, monosaccharide, natural botanicals and polysaccharide mixtures in compositions for hair care or hair repair, and skin care and topical treatments Ross, Valerie M. (US) 2019-10-29 US disclosed
CN-103599146-B A kind of preparation method of diuretic compositions and purposes HUAIHAI INSTITUTE OF TECHNOLOGY (CN) 2016-04-27 CN disclosed
US-20150209261-A1 Further Preparations of Silk Proteins, Seed Oils, Monosaccharide, Natural Botanicals and Polysaccharide Mixtures in Compositions for Hair Care or Hair Repair, and Skin Care and Topical Treatments ROSS VALERIE M (US) 2015-07-30 US disclosed
US-9023404-B2 Further preparations of silk proteins, seed oils, monosaccharide, natural botanicals and polysaccharide mixtures in compositions for hair care or hair repair, and skin care and topical treatments Ross, Valerie (US) 2015-05-05 US disclosed
CN-103599146-A Preparation method and use of diuretic composition HUAIHAI INST TECHNOLOGY 2014-02-26 CN disclosed
US-20110311655-A1 Further preparations of silk proteins, seed oils, monosaccharide, natural botanicals and polysaccharide mixtures in compositions for hair care or hair repair, and skin care and topical treatments Ross, Dr. Valerie (US) 2011-12-22 US disclosed
US-20090022821-A1 COMPOSITIONS FROM WAX MYRTLE FOR THE TREATMENT OF CANCER, CARDIOVASCULAR AND INFLAMMATORY DISEASES DEV INDERJIT KUMAR 2009-01-22 US disclosed
US-20080057161-A1 Functionalized coffee SUNRISE COFFEE CO. 2008-03-06 US disclosed
US-20080057162-A1 Functionalized coffee SUNRISE COFFEE CO. 2008-03-06 US disclosed
EP-1659876-A2 METHODS OF PRODUCING A FUNCTIONALIZED COFFEE Sunrise Coffee Co (US) 2006-05-31 EP disclosed
WO-2005016018-A2 METHODS OF PRODUCING A FUNCTIONALIZED COFFEE SUNRISE COFFEE CO. (US) 2005-02-24 WO disclosed
US-20050031761-A1 Methods of producing a functionalized coffee SUNRISE COFFEE CO. 2005-02-10 US disclosed