SCHEMBL28436216

SCHEMBL28436216

O=C(O)/C=C(/C(=O)OC1CCCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C19 P33261 1/20 0.34
NAAA Q02083 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
HTT P42858 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL1832495 1.00 EPHX1 (0.38) EPHX1CES2CES1LMNAMAPT
SCHEMBL2996958 0.81 EPHX1 (0.42) EPHX1CES2CES1LMNAMAPT
SCHEMBL29152273 0.81 EPHX1 (0.42) EPHX1CES2CES1LMNAMAPT
SCHEMBL93834 0.80 EPHX1 (0.39) EPHX1CES2CES1LMNAMAPT
SCHEMBL9278599 0.80 EPHX1 (0.39) EPHX1CES2CES1LMNAMAPT
SCHEMBL21931861 0.79 EPHX1 (0.39) EPHX1CES2CES1LMNAMAPT
SCHEMBL5463375 0.79 EPHX1 (0.39) EPHX1CES2CES1LMNAMAPT
SCHEMBL9245846 0.79 EPHX1 (0.38) EPHX1CES2CES1LMNAMAPT
Acrylic Acid SCHEMBL28288423 0.78 EPHX1 (0.33) EPHX1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL21457846 0.78 EPHX1 (0.42) EPHX1SMN1; SMN2CYP2C19NAAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111492002-A Cured HNBR products having improved hot air resistance 阿朗新科德国有限责任公司 2020-08-04 CN disclosed