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Sugi Predict / Compounds / SCHEMBL935606

SCHEMBL935606

SCHEMBL935606

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCC(O)C(O)[C@@]43C)[C@@H]1CC[C@@H]2[C@H](CO)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.54
▸ VDR P11473 4/20 0.54
▸ CASP7 P55210 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ EPHA2 P29317 2/20 0.54
▸ AKR1B10 O60218 2/20 0.54
▸ AKR1B1 P15121 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ NR1H4 Q96RI1 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MDM4 O15151 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HSPD1 P10809 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PTPN2 P17706 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
SCHEMBL15156946 1.00 GPBAR1 (0.54) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL10932516 1.00 GPBAR1 (0.54) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL5667728 0.90 GPBAR1 (0.59) GPBAR1VDREPHA2NR1H4SLC10A2
SCHEMBL6428952 0.88 GPBAR1 (0.70) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL7606272 0.88 GPBAR1 (0.70) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL16989126 0.84 NPC1L1 (0.39) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL6364874 0.83 GPBAR1 (0.61) GPBAR1VDREPHA2NR1H4SLC10A2
SCHEMBL17262448 0.82 GPBAR1 (0.77) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL8379236 0.82 GPBAR1 (0.77) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL7552067 0.77 GPBAR1 (0.72) GPBAR1VDRCASP7HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100116691-A1 BIOSENSOR FOR CONTINUOUS MONITORING OF METABOLITES AND PROTEINS AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF CONNECTICUT (US) 2010-05-13 — — US claimed
US-20150226699-A1 CARBON NANOSTRUCTURE SENSOR AND METHOD FOR BIOMOLECULE SENSING NANOSELECT, INC. (US) 2015-08-13 — — US disclosed
EP-2793953-A1 TELODENDRIMERS WITH ENHANCED DRUG DELIVERY The Regents of The University of California (US) 2014-10-29 — — EP disclosed
WO-2013096388-A1 TELODENDRIMERS WITH ENHANCED DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 — — WO disclosed
WO-2013009927-A2 DROPLET ACTUATORS AND TECHNIQUES FOR DROPLET-BASED ASSAYS ADVANCED LIQUID LOGIC, INC. (US) 2013-01-17 — — WO disclosed
US-20120213772-A1 Metabolic biomarkers of Crohn's Disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-23 — — US disclosed
EP-2485738-A2 COMPOSITIONS AND METHODS FOR TREATING OBESITY Atheronova Operations, Inc. (US) 2012-08-15 — — EP disclosed
WO-2011044523-A2 COMPOSITIONS AND METHODS FOR TREATING OBESITY ATHERONOVA OPERATIONS, INC. (US) 2011-04-14 — — WO disclosed
WO-2011009099-A1 METABOLIC BIOMARKERS OF CROHN'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 — — WO disclosed
US-6855809-B2 Methods for the simultaneous detection of HCV antigens and HCV antibodies ABBOTT LABORATORIES (US) 2005-02-15 — — US disclosed
EP-1080103-A4 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2003-07-02 — — EP disclosed
EP-1080103-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2001-03-07 — — EP disclosed
WO-1999060012-A1 COMPOSITIONS AND METHODS FOR NON-PARENTERAL DELIVERY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1999-11-25 — — WO disclosed