SCHEMBL5154450

SCHEMBL5154450

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)C(O)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.69
GPBAR1 Q8TDU6 4/20 0.69
CASP7 P55210 3/20 0.69
HSD17B10 Q99714 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
TP53 P04637 2/20 0.69
MAPK1 P28482 2/20 0.69
BLM P54132 2/20 0.69
EPHA2 P29317 2/20 0.69
AKR1B10 O60218 2/20 0.69
AKR1B1 P15121 2/20 0.69
LMNA P02545 2/20 0.69
USP2 O75604 2/20 0.69
MDM4 O15151 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
HSPD1 P10809 1/20 0.69
TSHR P16473 1/20 0.69
PTPN2 P17706 1/20 0.69
PTPN1 P18031 1/20 0.69

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
SCHEMBL5667888 1.00 VDR (0.69) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL3130073 0.91 GPBAR1 (0.57) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL7079943 0.90 GPBAR1 (0.56) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL17501642 0.90 GPBAR1 (0.73) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL15539189 0.89 GPBAR1 (0.71) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL7528741 0.87 GRIN2A (0.52) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL1490581 0.87 GPBAR1 (0.55) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL6879512 0.87 GPBAR1 (0.55) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL29130871 0.86 GPBAR1 (0.77) VDRGPBAR1CASP7HSD17B10TDP1
SCHEMBL28932414 0.86 GPBAR1 (0.77) VDRGPBAR1CASP7HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612448-B Method for screening for xanthomatosis of brain tendons using ratio of bile alcohol glucuronide and metabolite 阿姆斯特丹大学学术医学中心 2023-06-13 CN claimed
CN-110612448-A Method for screening brain tendon xanthomatosis using ratio of bile alcohol glucuronide to metabolite 阿姆斯特丹大学学术医学中心 2019-12-24 CN claimed
US-4486532-A IMMOBILIZATION OF FUMARASE-PRODUCING MICROORGANISM TNANBE SEIYAKU CO., LTD. (JP) 1984-12-04 US claimed
CN-108430514-B Compositions and methods for treating peroxisome disorders and leukodystrophies 约翰霍普金斯大学 2023-11-03 CN disclosed
CN-110612448-B Method for screening for xanthomatosis of brain tendons using ratio of bile alcohol glucuronide and metabolite 阿姆斯特丹大学学术医学中心 2023-06-13 CN disclosed
CN-110612448-A Method for screening brain tendon xanthomatosis using ratio of bile alcohol glucuronide to metabolite 阿姆斯特丹大学学术医学中心 2019-12-24 CN disclosed
WO-2019055268-A2 DRUG DELIVERY SYSTEM BARANOWITZ STEVEN (US) 2019-03-21 WO disclosed
EP-3387433-A1 BILE ACID BIOMARKERS FOR NIEMANN-PICK DISEASES, METHODS AND USES THEREFOR Washington University (US) 2018-10-17 EP disclosed
WO-2016069759-A1 BILE ACID BIOMARKERS FOR NIEMANN-PICK DISEASES, METHODS AND USES THEREFOR WASHINGTON UNIVERSITY (US) 2016-05-06 WO disclosed
WO-2015175479-A1 PHARMACEUTICAL COMPOSITION BARANOWITZ STEVEN (US) 2015-11-19 WO disclosed
EP-1751145-A4 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES CHONG KUN DANG PHARM CORP (KR) 2007-08-01 EP disclosed
EP-1751145-A1 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES Chong Kun Dang Pharmaceutical Corp. (KR) 2007-02-14 EP disclosed
WO-2006033505-A1 PAROXETINE CHOLATE OR CHOLIC ACID DERIVATIVE SALTS, AND COMPOSITION COMPRISING PAROXETINE AND CHOLIC ACID OR CHOLIC ACID DERIVATIVES CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2006-03-30 WO disclosed
US-4649155-A Injectable solutions HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed
US-4486532-A IMMOBILIZATION OF FUMARASE-PRODUCING MICROORGANISM TNANBE SEIYAKU CO., LTD. (JP) 1984-12-04 US disclosed