SCHEMBL27451920

SCHEMBL27451920

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
F9 P00740 1/20 0.34
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
SLC9A1 P19634 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
PARP14 Q460N5 1/20 0.30
LIMK1 P53667 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
SCHEMBL22701800 0.92 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701902 0.92 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701905 0.91 LIMK1 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22701906 0.91 ALOX5 (0.38) ALOX5F9CYP2C9CYP2C19PPARG
SCHEMBL22135451 0.88 PTPN7 (0.39) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22195764 0.85 LIMK1 (0.34) LIMK1
SCHEMBL22701932 0.83 ALOX5 (0.32) ALOX5
SCHEMBL25140477 0.83 PARP14 (0.36) ALOX5PTPN7DUSP3PTPN12PTPN22
SCHEMBL22736571 0.81 KDM4E (0.42) PPARG
SCHEMBL22736775 0.81 SMN1; SMN2 (0.42) PPARG

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-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 WO disclosed