SCHEMBL20537413

SCHEMBL20537413

COC(=O)[C@@H]1OC(C)(C)O[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
ITGA4 P13612 1/20 0.44
BACE1 P56817 1/20 0.44
CYP3A4 P08684 5/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TLR9 Q9NR96 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PSEN1 P49768 1/20 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
SCHEMBL15551653 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL28364920 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL29015087 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL17093339 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL15550283 1.00 ALDH1A1 (0.44) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL17093301 0.84 BACE1 (0.41) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL17093421 0.84 BACE1 (0.41) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL16795859 0.84 BACE1 (0.41) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL27085626 0.84 BACE1 (0.41) ALDH1A1MAPTITGA4BACE1CYP3A4
SCHEMBL27135633 0.84 BACE1 (0.41) ALDH1A1MAPTITGA4BACE1CYP3A4

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-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
EP-3079686-B1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO PHARM SOLUTIONS CO LTD (KR) 2018-10-24 EP disclosed