SCHEMBL8777876

SCHEMBL8777876

COc1cccc(CN2CCc3cc(C(C)N(O)C(N)=O)ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KEAP1 Q14145 1/20 0.42
TACR1 P25103 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL9089590 0.84 PTGER4 (0.49) PTGER4PTGER2SIRT2SIRT1KDM4E
SCHEMBL8778078 0.84 PTGER4 (0.46) PTGER4PTGER2SIRT2SIRT1KDM4E
SCHEMBL5082657 0.82 PTGER4 (0.48) PTGER4PTGER2SIRT2SIRT1KDM4E
SCHEMBL9204161 0.81 ADRB3 (0.49) ALOX5KDM4EALDH1A1HDAC1HDAC6
SCHEMBL4728356 0.77 MAPT (0.51) PTGER4PTGER2SIRT2SIRT1ALDH1A1
SCHEMBL9198265 0.77 HDAC1 (0.51) PTGER4PTGER2SIRT2SIRT1KDM4E
SCHEMBL9030409 0.77 HDAC1 (0.53) PTGER4PTGER2SIRT2SIRT1ALDH1A1
SCHEMBL8778079 0.77 PTGER4 (0.49) PTGER4PTGER2SIRT2SIRT1KDM4E
SCHEMBL9535250 0.76 HDAC1 (0.49) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL8778036 0.76 PTGER4 (0.46) PTGER4PTGER2SIRT2SIRT1HDAC1

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 3 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
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed