SCHEMBL2308702

SCHEMBL2308702

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](OC(=O)CN)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.71
NR1H4 Q96RI1 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ABCB11 O95342 2/20 0.71
SLC10A2 Q12908 2/20 0.71
SLC10A1 Q14973 2/20 0.71
LMNA P02545 1/20 0.71
CYP2C19 P33261 1/20 0.71
CHRM2 P08172 1/20 0.71
ADRA2A P08913 1/20 0.71
ADRA1A P35348 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ENPP2 Q13822 1/20 0.71
CISD1 Q9NZ45 1/20 0.71
CYP3A4 P08684 1/20 0.71
USP2 O75604 1/20 0.61
VDR P11473 1/20 0.61

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
SCHEMBL10519154 0.91 GPBAR1 (0.71) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL288289 0.91 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL1551522 0.90 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL10717974 0.90 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL4532588 0.90 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23222858 0.90 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23231228 0.89 GPBAR1 (0.81) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278634 0.88 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278584 0.88 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19864116 0.88 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
US-8608922-B2 Biosensor for continuous monitoring of metabolites and proteins and methods of manufacture thereof THE UNIVERSITY OF CONNECTICUT (US) 2013-12-17 US claimed
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
CN-112820348-B Method for detecting interaction between plasma metabolism and skin microflora of psoriasis patient 宁夏医科大学总医院 2023-04-07 CN disclosed
US-20230016698-A1 METHOD FOR DETERMINING GLUCOSE CONCENTRATION IN A SERUM SAMPLE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-01-19 US disclosed
US-20230003682-A1 METHIONINE CONCENTRATION MEASUREMENT METHOD KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-01-05 US disclosed
US-11474067-B2 Detection of serum methionine and glucose by graphite pencil electrode KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-10-18 US disclosed
CN-115015531-A Endogenous marker set and application thereof in assessment of genistein uptake condition 上海交通大学 2022-09-06 CN disclosed
CN-114994207-A Endogenous marker set and application thereof in evaluating daidzein intake condition 上海交通大学 2022-09-02 CN disclosed
CN-112820348-A Use of plasma metabolism for novel interactions in the microflora of the skin of patients with psoriasis 宁夏医科大学总医院 2021-05-18 CN disclosed
CN-112083111-A Non-invasive diagnosis marker for chronic drug-induced liver injury related cirrhosis and application thereof 中国人民解放军总医院第五医学中心 2020-12-15 CN disclosed
EP-1949100-B1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LAB (US) 2011-08-03 EP disclosed
US-7718380-B2 Method of tacrolimus extraction and quantification using aqueous detergents ABBOTT LABORATORIES (US) 2010-05-18 US disclosed
US-20100116691-A1 BIOSENSOR FOR CONTINUOUS MONITORING OF METABOLITES AND PROTEINS AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF CONNECTICUT (US) 2010-05-13 US disclosed
US-20090275062-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2009-11-05 US disclosed
US-7575875-B2 Method of tacrolimus extraction and quantification using aqueous detergents ABBOTT LABORATORIES, INC. (US) 2009-08-18 US disclosed
EP-1949100-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2008-07-30 EP disclosed
US-20070087396-A1 Method of tacrolimus extraction and quantification using aqueous detergents ABBOTT LABORATORIES 2007-04-19 US disclosed
WO-2007044978-A1 METHOD OF TACROLIMUS EXTRACTION AND QUANTIFICATION USING AQUEOUS DETERGENTS ABBOTT LABORATORIES (US) 2007-04-19 WO disclosed