SCHEMBL28887409

SCHEMBL28887409

O=C(O)c1ccccc1-c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
TBK1 Q9UHD2 1/20 0.49
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
PTGER4 P35408 1/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
ALOX5 P09917 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AHR P35869 1/20 0.44
SOS1 Q07889 1/20 0.43
TNKS O95271 1/20 0.43
USP2 O75604 1/20 0.43
CSNK2A2 P19784 1/20 0.43
PTGS1 P23219 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43

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
SCHEMBL23260298 0.82 TBK1 (0.49) TTRTBK1PTGER4KDM4EPOLB
SCHEMBL22252283 0.80 AHR (0.52) TTRMMP12MMP13KDM4EALOX5
SCHEMBL27673161 0.78 ALOX5 (0.56) MMP12MMP13KDM4EALOX5AHR
SCHEMBL30346405 0.77 MGAM (0.59) TTRTBK1KDM4EPOLBMAOA
SCHEMBL16904383 0.77 AHR (0.52) TTRMMP12MMP13KDM4EALOX5
SCHEMBL28674166 0.77 TBK1 (0.60) TTRTBK1KDM4ENPSR1AHR
SCHEMBL7913698 0.76 AHR (0.63) TTRMMP12MMP13KDM4EAHR
SCHEMBL24287075 0.75 AHR (0.48) TTRMCL1NPSR1AHRALDH1A1
SCHEMBL24982633 0.75 AHR (0.46) TTRMMP12MMP13KDM4EALOX5
SCHEMBL21763754 0.75 AHR (0.46) TTRMMP12MMP13KDM4EALOX5

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
CN-110168048-B Organic photoelectric device, compound and composition used for same, and display device 三星SDI株式会社 2022-10-21 CN disclosed