SCHEMBL28237290

SCHEMBL28237290

C=C(C)c1cccc(C(C)(CCCCC)OOC(C)(CCCCC)c2cccc(C(=C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7138053 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL5079320 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL17825579 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL1581716 0.74 MAPK1 (0.42) GAAMEN1KMT2A
SCHEMBL1581356 0.74 MAPK1 (0.42) GAAMEN1KMT2A
SCHEMBL1707006 0.74 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL16703328 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL8516788 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL18408453 0.71 ACHE (0.55) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL13873479 0.71 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E

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-108348642-A Hydrophobic, crosslinked and cinnamyl alcohol-based acrylic copolymers for intraocular lenses 阿库里恩公司 2018-07-31 CN disclosed