SCHEMBL28656274

SCHEMBL28656274

CCCOC(=O)C=C(C#N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ELANE P08246 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 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
SCHEMBL31467360 0.88 SMN1; SMN2 (0.60) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL9467707 0.88 SMN1; SMN2 (0.60) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL1054908 0.88 SMN1; SMN2 (0.60) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL28824973 0.87 ESR1 (0.54) LMNASMN1; SMN2ALDH1A1KDM4EPOLB
Ethane SCHEMBL28319082 0.87 SMN1; SMN2 (0.59) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL28664838 0.85 ELANE (0.42) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3268408 0.84 THRB (0.43) LMNASMN1; SMN2HPGDHCAR2POLB
SCHEMBL28652865 0.82 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL21457647 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL2581993 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDKDM4EKMT2A

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