SCHEMBL9833545

SCHEMBL9833545

CCCCON(CCc1ccc(C)o1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.35
ESR2 Q92731 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL9833540 0.82 ALOX5 (0.46) ALOX5POLBALDH1A1MAPTKDM4E
Tetrabuthylammonium SCHEMBL9833807 0.73 ALOX5 (0.55) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL9832426 0.73 ALOX5 (0.71) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL8806000 0.70 ALOX5 (0.54) ALOX5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9542469 0.69 ALOX5 (0.60) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL8143743 0.68 POLB (0.52) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL8814587 0.68 ALOX5 (0.59) ALOX5ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL9832106 0.67 ALOX5 (0.53) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL10343356 0.67 POLB (0.50) ALOX5POLBALDH1A1MAPTKDM4E
SCHEMBL3577399 0.66 ALOX5 (0.44) ALOX5POLBALDH1A1MAPTMEN1

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-0388429-A4 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS 1991-08-21 EP disclosed
EP-0388429-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-26 EP disclosed
WO-1989004299-A1 FURAN AND PYRROLE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1989-05-18 WO disclosed