SCHEMBL8778025

SCHEMBL8778025

COc1cccc(CCN2CCc3cc(CNC(N)=O)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.52
PTGER2 P43116 1/20 0.52
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DHCR7 Q9UBM7 1/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL4728356 0.90 MAPT (0.51) PTGER4PTGER2MAPTPOLBALDH1A1
SCHEMBL9088952 0.83 PTGER4 (0.51) PTGER4PTGER2MAPTALDH1A1SIGMAR1
SCHEMBL8777936 0.79 TP53 (0.52) MAPTPOLBALDH1A1LMNATP53
SCHEMBL8778095 0.79 FFAR1 (0.47) MAPTPOLBALDH1A1LMNATP53
SCHEMBL9597610 0.78 PTGER4 (0.47) PTGER4PTGER2MAPTALDH1A1LMNA
SCHEMBL30104666 0.78 ALDH1A1 (0.68) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8245692 0.78 ALDH1A1 (0.68) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8778079 0.77 PTGER4 (0.49) PTGER4PTGER2MAPTALDH1A1
SCHEMBL8778007 0.76 LMNA (0.50) ALDH1A1LMNATP53THRB
SCHEMBL16494249 0.74 ACHE (0.55) MAPTPOLBALDH1A1LMNATP53

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