SCHEMBL22301495

SCHEMBL22301495

CC(C)(O)C(C)(C)OBc1cc2sc3ccccc3c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
APEX1 P27695 1/20 0.35
GPR3 P46089 1/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL22303256 0.95 PTPN7 (0.39) PTPN7DUSP3PTPN12PTPN22APEX1
SCHEMBL22301494 0.89 PTPN7 (0.31) PTPN7DUSP3PTPN12PTPN22CASR
SCHEMBL22302740 0.84 PTPN7 (0.31) PTPN7DUSP3PTPN12PTPN22CASR
SCHEMBL22302067 0.84
SCHEMBL22301515 0.84 CYP1A1 (0.35) RAB9ACYP1A2
SCHEMBL22432972 0.83
SCHEMBL22303324 0.80
SCHEMBL21472389 0.79 PTPN7 (0.45) PTPN7DUSP3PTPN12PTPN22APEX1
SCHEMBL22310073 0.79 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22APEX1
SCHEMBL22311754 0.79 APEX1 (0.35) PTPN7DUSP3PTPN12PTPN22APEX1

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
WO-2020159336-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2020-08-06 WO disclosed