SCHEMBL4331335

SCHEMBL4331335

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.73
EPHA2 P29317 3/20 0.73
VDR P11473 2/20 0.73
ABCC4 O15439 1/20 0.63
ABCC1 P33527 1/20 0.63
NR1H4 Q96RI1 3/20 0.59
ENPP2 Q13822 1/20 0.59
ABCB11 O95342 1/20 0.59
SLC10A2 Q12908 2/20 0.59
SLC10A1 Q14973 2/20 0.59
CASP7 P55210 3/20 0.56
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
BLM P54132 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MDM4 O15151 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
HSPD1 P10809 1/20 0.56

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
SCHEMBL977813 0.90 VDR (0.69) GPBAR1EPHA2VDRABCC4NR1H4
SCHEMBL15156945 0.90 VDR (0.69) GPBAR1EPHA2VDRABCC4NR1H4
SCHEMBL5154446 0.90 VDR (0.69) GPBAR1EPHA2VDRABCC4NR1H4
SCHEMBL7146262 0.87 GPBAR1 (0.70) GPBAR1EPHA2VDRABCC4ABCC1
SCHEMBL22572509 0.87 GPBAR1 (0.62) GPBAR1EPHA2VDRNR1H4CASP7
SCHEMBL6698178 0.86 GPBAR1 (0.74) GPBAR1EPHA2VDRABCC4NR1H4
SCHEMBL5667769 0.86 GPBAR1 (0.74) GPBAR1EPHA2VDRABCC4NR1H4
SCHEMBL6064363 0.86 GPBAR1 (0.61) GPBAR1EPHA2VDRNR1H4CASP7
SCHEMBL17501642 0.85 GPBAR1 (0.73) GPBAR1EPHA2VDRABCC4ABCC1
Lithoglycocholate SCHEMBL24001379 0.84 GPBAR1 (1.00) GPBAR1EPHA2VDRNR1H4ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423829-A1 METHOD FOR DETERMININGIN VITRO Clayton Pharmaceuticals LLC (US) 2019-01-09 EP claimed
WO-2018204894-A1 METHOD FOR DETERMINING IN VITRO BIOEQUIVALENCE OF A SUCRALFATE SUSPENSION SAMPLE TO A SUCRALFATE SUSPENSION REFERENCE LISTED DRUG (RLD) CLAYTON PHARMACEUTICALS LLC (US) 2018-11-08 WO claimed
US-9989519-B1 Method for determining in vitro bioequivalence of a sucralfate suspension sample to a sucralfate suspension reference listed drug (RLD) Clayton Pharmaceuticals, LLC (US) 2018-06-05 US claimed
EP-3423829-A1 METHOD FOR DETERMININGIN VITRO Clayton Pharmaceuticals LLC (US) 2019-01-09 EP disclosed
WO-2018204894-A1 METHOD FOR DETERMINING IN VITRO BIOEQUIVALENCE OF A SUCRALFATE SUSPENSION SAMPLE TO A SUCRALFATE SUSPENSION REFERENCE LISTED DRUG (RLD) CLAYTON PHARMACEUTICALS LLC (US) 2018-11-08 WO disclosed
EP-1427289-B1 PULSATILE RELEASE COMPOSITIONS AND METHODS FOR ENHANCED GASTROINTESTINAL DRUG ABSORPTION IONIS PHARMACEUTICALS INC (US) 2017-05-10 EP disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 WO disclosed
EP-1427289-A4 PULSATILE RELEASE COMPOSITIONS AND METHODS FOR ENHANCED GASTROINTESTINAL DRUG ABSORPTION ISIS PHARMACEUTICALS INC (US) 2006-06-28 EP disclosed
US-20050196443-A1 Pulsatile release compositions and methods for enhanced intestinal drug absorption ISIS PHARMACEUTICALS, INC. (US) 2005-09-08 US disclosed
EP-1427289-A2 PULSATILE RELEASE COMPOSITIONS AND METHODS FOR ENHANCED GASTROINTESTINAL DRUG ABSORPTION ISIS Pharmaceuticals, Inc. (US) 2004-06-16 EP disclosed
WO-2003017940-A2 PULSATILE RELEASE COMPOSITIONS AND METHODS FOR ENHANCED GASTROINTESTINAL DRUG ABSORPTION ISIS PHARMACEUTICALS, INC. (US) 2003-03-06 WO disclosed