SCHEMBL28113038

SCHEMBL28113038

C=C(C)C(=O)OC1CCCCC1.[CH2]C=C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
NAAA Q02083 2/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CYP19A1 P11511 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL2201867 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL440149 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL439354 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL1052594 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL28878275 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL18822970 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL887989 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL18823066 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL22480 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19
SCHEMBL16297135 0.92 EPHX1 (0.46) EPHX1NAAAHTTALDH1A1CYP2C19

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-106486509-A Display device 三星显示有限公司 2017-03-08 CN disclosed