SCHEMBL8778079

SCHEMBL8778079

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.49
PTGER2 P43116 3/20 0.49
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
NR3C2 P08235 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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 0.85 PTGER4 (0.49) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL4728356 0.83 MAPT (0.51) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL5082657 0.78 PTGER4 (0.48) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL8778025 0.77 PTGER4 (0.52) PTGER4PTGER2MAPTALDH1A1
SCHEMBL8777876 0.77 ALOX5 (0.51) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL8778078 0.75 PTGER4 (0.46) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL9598300 0.74 HDAC1 (0.48) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL9198265 0.73 HDAC1 (0.51) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL9030409 0.73 HDAC1 (0.53) PTGER4PTGER2SIRT2SIRT1HDAC1
SCHEMBL9088952 0.73 PTGER4 (0.51) PTGER4PTGER2MAPTALDH1A1

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
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed