SCHEMBL28368692

SCHEMBL28368692

COC(=O)[C@H]1OC(C)(C)O[C@H]1c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 1/20 0.44
ITGA4 P13612 1/20 0.44
KDM4E B2RXH2 5/20 0.42
GAA P10253 5/20 0.42
GLA P06280 4/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR2 O43614 2/20 0.38
ATM Q13315 1/20 0.36
HCRTR1 O43613 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL15539520 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL29015066 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL28369205 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL15550827 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL30444088 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL30444038 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL16795784 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL15539186 0.85 ALDH1A1 (0.42) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL28369430 0.85 ALDH1A1 (0.42) ALDH1A1MAPTITGA4KDM4EGAA
SCHEMBL29418603 0.85 ALDH1A1 (0.42) ALDH1A1MAPTITGA4KDM4EGAA

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-106507667-B Sulfamate derivatives for the prevention or treatment of epilepsy 比皮艾思药物研发有限公司 2020-01-24 CN disclosed