SCHEMBL28264245

SCHEMBL28264245

CCCC=C(C)C(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
EPHX1 P07099 3/20 0.46
HTT P42858 2/20 0.38
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 4/20 0.33
CCR2 P41597 1/20 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
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
SCHEMBL29117702 1.00 NAAA (0.46) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL28473154 0.98 NAAA (0.45) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL5075297 0.90 NAAA (0.51) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL20873744 0.87 NAAA (0.56) NAAAEPHX1HTTALDH1A1CCR2
SCHEMBL27632361 0.87 NAAA (0.56) NAAAEPHX1HTTALDH1A1CCR2
SCHEMBL28464171 0.87 NAAA (0.53) NAAAEPHX1HTTALDH1A1CCR2
SCHEMBL29117589 0.86 EPHX1 (0.49) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL29276362 0.86 EPHX1 (0.49) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL2987394 0.86 EPHX1 (0.49) NAAAEPHX1HTTCYP2C19ALDH1A1
SCHEMBL2045278 0.85 EPHX1 (0.41) NAAAEPHX1HTTCYP2C19CYP19A1

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
CN-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed
CN-107207456-B Latent acids and their use 巴斯夫欧洲公司 2021-05-04 CN disclosed
CN-109232243-A The method that one kettle way prepares acrylic acid straight chained alkyl cyclohexyl 上海博栋化学科技有限公司 2019-01-18 CN disclosed