SCHEMBL28166141

SCHEMBL28166141

COC(=O)C(C)=CC=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
ELANE P08246 2/20 0.42
GAA P10253 2/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RAD51 Q06609 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 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
SCHEMBL26092904 0.87 AKR1C3 (0.46) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL10340521 0.85 ELANE (0.45) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL29109725 0.82 KDM4E (0.46) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL165007 0.81 ELANE (0.47) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL809326 0.81 ELANE (0.47) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL4324963 0.81 ELANE (0.47) ALDH1A1MAPTELANEGAAHSP90AA1
Acetic Acid SCHEMBL28124338 0.81 ELANE (0.45) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL18677582 0.81 ELANE (0.41) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL5605891 0.81 ALDH1A1 (0.47) ALDH1A1MAPTELANEGAAHSP90AA1
SCHEMBL22738431 0.80 ELANE (0.49) ALDH1A1MAPTELANEGAAHSP90AA1

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-105026489-B (methyl) acrylic resin composition with excellent impact resistance and transparency LG化学株式会社 2017-09-01 CN disclosed