SCHEMBL8777878

SCHEMBL8777878

CCCCOC(=O)ON(Cc1cccc2c1CCN2Cc1cccc(OC)c1)C(=O)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
PTGER4 P35408 2/20 0.41
PTGER2 P43116 2/20 0.41
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
HTT P42858 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP7 Q93009 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8777934 0.77 KEAP1 (0.51) KEAP1PTGER4PTGER2KMT2AMEN1
SCHEMBL8777919 0.72 KEAP1 (0.49) KEAP1PTGER4PTGER2KMT2AMEN1
SCHEMBL29572755 0.65 SIGMAR1 (0.57) PTGER4PTGER2KMT2AMEN1SIRT2
SCHEMBL5661589 0.65 SIGMAR1 (0.57) PTGER4PTGER2KMT2AMEN1SIRT2
SCHEMBL21540041 0.63 L3MBTL1 (0.53) ALDH1A1MAPTL3MBTL1POLB
SCHEMBL9597479 0.63 KEAP1 (0.46) KEAP1PTGER4PTGER2KMT2AMEN1
SCHEMBL9597655 0.62 KEAP1 (0.43) KEAP1PTGER4PTGER2KMT2AMEN1
SCHEMBL5082657 0.62 PTGER4 (0.48) KEAP1PTGER4PTGER2KMT2AMEN1
SCHEMBL29483473 0.61 SIGMAR1 (0.55) PTGER4PTGER2KMT2AMEN1SIRT2
SCHEMBL28643238 0.61 SIGMAR1 (0.55) PTGER4PTGER2KMT2AMEN1SIRT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
EP-0651743-A1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-05-10 EP disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed