SCHEMBL22701800

SCHEMBL22701800

CC(C)(O)C(C)(C)OBc1cccc2c1sc1ccc(-c3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.36
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ALOX5 P09917 1/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
ROCK1 Q13464 1/20 0.31

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
SCHEMBL22701902 1.00 LIMK1 (0.36) LIMK1PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701905 0.99 LIMK1 (0.36) LIMK1PTPN7DUSP3PTPN12PTPN22
SCHEMBL22135451 0.93 PTPN7 (0.39) PTPN7DUSP3PTPN12PTPN22ALOX5
SCHEMBL27451920 0.92 ALOX5 (0.39) LIMK1PTPN7DUSP3PTPN12PTPN22
SCHEMBL22195764 0.92 LIMK1 (0.34) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL22701906 0.87 ALOX5 (0.38) ALOX5
SCHEMBL25140477 0.85 PARP14 (0.36) PTPN7DUSP3PTPN12PTPN22ALOX5
SCHEMBL22736775 0.85 SMN1; SMN2 (0.42)
SCHEMBL22701932 0.84 ALOX5 (0.32) ALOX5
SCHEMBL22736560 0.84 NPC1 (0.39)

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-2020235955-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed