SCHEMBL29034273

SCHEMBL29034273

C=CC(=O)Cl.COc1cccc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.51
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ABCB1 P08183 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX5 P09917 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42

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
Acrylic Acid SCHEMBL29034262 0.87 NFE2L2 (0.53) NFE2L2KDM4ELMNAHPGDCA12
Acrylic Acid SCHEMBL29034269 0.85 NFE2L2 (0.51) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL28556152 0.84 NFE2L2 (0.50) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL28714121 0.82 NFE2L2 (0.53) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL28767207 0.80 NFE2L2 (0.46) NFE2L2KDM4ELMNAHPGDCA12
Formaldehyde SCHEMBL28092618 0.80 SMN1; SMN2 (0.54) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL28085824 0.79 NFE2L2 (0.50) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL28256474 0.78 NFE2L2 (0.50) NFE2L2KDM4ELMNAHPGDCA12
SCHEMBL27900427 0.78 SMN1; SMN2 (0.48) NFE2L2KDM4ELMNAHPGDCA12
Formic Acid SCHEMBL28191601 0.78 NFE2L2 (0.55) NFE2L2KDM4ELMNAHPGDCA12

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-114702436-B Application of piperlonguminine compound in preparation of medicines for treating schistosomiasis japonica and pharmaceutical composition 赣南师范大学 2023-07-14 CN disclosed