SCHEMBL2045278

SCHEMBL2045278

CC(=CCCN)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.38
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 4/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TPSAB1 Q15661 3/20 0.31
TPSD1 Q9BZJ3 3/20 0.31
TPSG1 Q9NRR2 3/20 0.31
STS P08842 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28264245 0.85 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29117702 0.85 NAAA (0.46) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL28473154 0.83 NAAA (0.45) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL27664188 0.83 EPHX1 (0.40) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL5075297 0.82 NAAA (0.51) EPHX1NAAAHTTCYP2C19
SCHEMBL29117589 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL29276362 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL2987394 0.81 EPHX1 (0.49) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL20873744 0.80 NAAA (0.56) EPHX1NAAAHTT
SCHEMBL27632361 0.80 NAAA (0.56) EPHX1NAAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029247-A1 RADIO-WAVE-ABSORBENT COMPOSITION AND RADIO WAVE ABSORBER 富士フイルム株式会社 2021-02-18 WO disclosed
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