SCHEMBL28650877

SCHEMBL28650877

CC(C)COC(=O)/C=C/c1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
F2R P25116 1/20 0.38
KDM4E B2RXH2 2/20 0.38
STAT3 P40763 1/20 0.38
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL28650880 1.00 ALDH1A1 (0.42) ALDH1A1TSHRHPGDGAAKMT2A
SCHEMBL5317693 0.85 ALDH1A1 (0.48) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL8050356 0.85 ALDH1A1 (0.48) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL28653578 0.82 APP (0.47) ALDH1A1HPGDGAASMN1; SMN2KDM4E
SCHEMBL28645173 0.82 APP (0.47) ALDH1A1HPGDGAASMN1; SMN2KDM4E
SCHEMBL29000086 0.81 TDP1 (0.56) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL29000084 0.81 TDP1 (0.56) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL28658531 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDGAAKMT2A
SCHEMBL28658533 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDGAAKMT2A
SCHEMBL17482121 0.80 MAPT (0.54) ALDH1A1TSHRHPGDGAAMAPT

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-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed