SCHEMBL2045276

SCHEMBL2045276

C=C(CCCN)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
EPHX1 P07099 2/20 0.38
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.34
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
HDAC3 O15379 1/20 0.32
GABBR2 O75899 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL21339839 0.94 NAAA (0.46) NAAAEPHX1TPSAB1TPSD1TPSG1
SCHEMBL29117609 0.83 NAAA (0.57) NAAAEPHX1CYP2C19HTTALDH1A1
SCHEMBL9009690 0.83 NAAA (0.57) NAAAEPHX1CYP2C19HTTALDH1A1
SCHEMBL5075294 0.82 NAAA (0.64) NAAAEPHX1HTTKMT2AALDH1A1
SCHEMBL6433418 0.81 NAAA (0.67) NAAAEPHX1HTTALDH1A1
SCHEMBL9468402 0.81 NAAA (0.67) NAAAEPHX1HTTALDH1A1
SCHEMBL27626124 0.81 NAAA (0.67) NAAAEPHX1HTTALDH1A1
SCHEMBL28473788 0.80 NAAA (0.63) NAAAEPHX1HTTTSHRALDH1A1
SCHEMBL29010448 0.80 NAAA (0.42) NAAAEPHX1CYP2C19HTTCYP19A1
SCHEMBL29117582 0.79 NAAA (0.51) NAAAEPHX1CYP2C19HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094132-A1 POLYGLYCOLIC ACID RESIN COMPOSITION, MOLDED PRODUCT FOR WELL DRILLING, AND DOWNHOLE TOOL MEMBER KUREHA CORPORATION (JP) 2018-04-05 US disclosed
US-20170306144-A1 POLYGLYCOLIC ACID RESIN COMPOSITION, MOLDED PRODUCT FOR WELL DRILLING, AND DOWNHOLE TOOL MEMBER KUREHA CORPORATION (JP) 2017-10-26 US disclosed
US-7964666-B2 Styrene-based resin from graft polymerization to a rubbery polymer, a monomer with aromatic viaffinity to the polyamide resin blended to the polyamide resin, an aromatic vinyl-based monomer, an alpha , beta -unsaturated carboxylic anhydride and a vinyl cyanide monomer; automobile materials TORAY INDUSTRIES, INC. (JP) 2011-06-21 US disclosed
US-20080071024-A1 Thermoplastic Resin Composition TORAY INDUSTRIES, INC. (JP) 2008-03-20 US disclosed