SCHEMBL28643160

SCHEMBL28643160

CC1(I)C=CC(C(=O)c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ELANE P08246 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRD5A2 P31213 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HPGDS O60760 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
MAPK1 P28482 1/20 0.34
EZH2 Q15910 1/20 0.34
PTGES O14684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3270607 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL2470211 0.84 ALDH1A1 (0.42) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL5677233 0.83 ALDH1A1 (0.41) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL28271865 0.81 ALDH1A1 (0.39) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL28642593 0.81 ALDH1A1 (0.39) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL29176249 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL26630609 0.81 ALDH1A1 (0.39) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL27661013 0.81 ALDH1A1 (0.39) ALDH1A1ELANEL3MBTL1ATMTDP1
SCHEMBL7420070 0.81 ALDH1A1 (0.39) ALDH1A1ELANEL3MBTL1ATMTDP1
Hydrochloric Acid SCHEMBL8844133 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1ATMTDP1SRD5A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970976-B Tetraphenyl vinyl bridged polysilsesquioxane, preparation method and application thereof 苏州大学 2021-08-24 CN claimed
CN-109970976-B Tetraphenyl vinyl bridged polysilsesquioxane, preparation method and application thereof 苏州大学 2021-08-24 CN disclosed