SCHEMBL22701906

SCHEMBL22701906

CC(C)(O)C(C)(C)OBc1cccc2c1sc1ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PPARG P37231 8/20 0.36
PPARA Q07869 8/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARD Q03181 1/20 0.36
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
S1PR4 O95977 4/20 0.31
S1PR5 Q9H228 4/20 0.31
F9 P00740 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL27451920 0.91 ALOX5 (0.39) ALOX5PPARGPPARACYP2C9CYP2C19
SCHEMBL22135451 0.87 PTPN7 (0.39) ALOX5
SCHEMBL22701800 0.87 LIMK1 (0.36) ALOX5
SCHEMBL22701902 0.87 LIMK1 (0.36) ALOX5
SCHEMBL22701905 0.86 LIMK1 (0.36) ALOX5
SCHEMBL27451917 0.83 ALOX5 (0.34) ALOX5PPARGPPARACYP2C9CYP2C19
SCHEMBL22701932 0.82 ALOX5 (0.32) ALOX5
SCHEMBL22195764 0.82 LIMK1 (0.34)
SCHEMBL22736571 0.82 KDM4E (0.42) PPARG
SCHEMBL25140477 0.82 PARP14 (0.36) ALOX5

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