SCHEMBL21229905

SCHEMBL21229905

C/C=C\C=C(/C)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CES2 O00748 3/20 0.41
▸ CES1 P23141 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL22373594 0.90 CES2 (0.52) SMN1; SMN2MAPTALDH1A1L3MBTL1CES2
SCHEMBL26294470 0.87 ALDH1A1 (0.47) MAPTALDH1A1L3MBTL1CES2CES1
SCHEMBL22765129 0.81 CES2 (0.54) SMN1; SMN2MAPTALDH1A1L3MBTL1GSK3B
SCHEMBL23864293 0.81 CES2 (0.54) SMN1; SMN2MAPTALDH1A1USP2L3MBTL1
SCHEMBL18869777 0.80 MAPT (0.43) SMN1; SMN2MAPTALDH1A1KDM4EUSP2
SCHEMBL18533575 0.79 CES2 (0.48) SMN1; SMN2MAPTALDH1A1L3MBTL1CES2
Bicarbonate SCHEMBL9521282 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1KDM4EUSP2
Biphenyl SCHEMBL27937078 0.78 CES2 (0.56) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL8215241 0.78 POLB (0.50) SMN1; SMN2MAPTALDH1A1KDM4EUSP2
SCHEMBL18537213 0.77 RAB9A (0.51) SMN1; SMN2MAPTALDH1A1KDM4EHPGD

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
EP-3225645-B1 PHOTOACTIVE ADDITIVES WITH PHOTOACTIVE MONOMERS AND ENDCAPS SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-08-07 — — EP disclosed
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