SCHEMBL3458090

SCHEMBL3458090

CC1(C)CC(C(CCCOC(=O)CC(=O)OCCCC(C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL3458093 0.93
SCHEMBL317669 0.76 GAA (0.32)
SCHEMBL10476913 0.72 GAA (0.33)
SCHEMBL29612236 0.72 GAA (0.34)
SCHEMBL8459753 0.70 GAA (0.36)
SCHEMBL22325703 0.67 FAAH (0.37) EPHX2
SCHEMBL272468 0.66 GAA (0.47)
SCHEMBL17740426 0.66 EPHX2 (0.34) EPHX2
SCHEMBL5708116 0.66 NR1H4 (0.36)
SCHEMBL10476914 0.66 GAA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700264-B2 Photosensitive resin composition, image forming material and image forming method using thereof NIPPON PAINT CO., LTD. (JP) 2010-04-20 US disclosed
US-7666813-B2 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 US disclosed