SCHEMBL25140477

SCHEMBL25140477

CC(C)(O)C(C)(C)OBc1cccc2c1sc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.36
ALOX5 P09917 1/20 0.36
GPR3 P46089 1/20 0.35
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
MAPT P10636 2/20 0.33
APEX1 P27695 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HCRTR1 O43613 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL22927004 0.92 PARP14 (0.35) PARP14ALOX5GPR3PTPN7DUSP3
SCHEMBL22135451 0.91 PTPN7 (0.39) PARP14ALOX5GPR3PTPN7DUSP3
SCHEMBL18164670 0.86 MAPT (0.37) PARP14ALOX5GPR3PTPN7DUSP3
SCHEMBL22701902 0.85 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701800 0.85 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701905 0.84 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL24030281 0.84 MAPK1 (0.33) L3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL22302490 0.84 APEX1 (0.35) PARP14ALOX5GPR3PTPN7DUSP3
SCHEMBL22249828 0.83 GPR3 (0.35) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL22311754 0.83 APEX1 (0.35) ALOX5GPR3PTPN7DUSP3PTPN12

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
US-20230119201-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2023-04-20 US disclosed