SCHEMBL8317291

SCHEMBL8317291

Nc1ccc(OC2CCCCO2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
DHFR P00374 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
PDE4B Q07343 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTPN1 P18031 1/20 0.32
TNK2 Q07912 1/20 0.32

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
SCHEMBL11455772 0.85 CSNK2A1 (0.43) CSNK2A1GAAMAPTTSHRPDE4B
SCHEMBL7167776 0.82 CSNK2A1 (0.41) CSNK2A1PDE4BALDH1A1POLBHPGD
SCHEMBL16695147 0.82 LMNA (0.43) CSNK2A1MAPTSMN1; SMN2TSHRPDE4B
SCHEMBL17453392 0.81 CSNK2A1 (0.40) CSNK2A1PDE4BALDH1A1POLBHPGD
SCHEMBL11463272 0.80 HPGD (0.44) CSNK2A1MAPTSMN1; SMN2PDE4BALDH1A1
SCHEMBL5330768 0.80 MRGPRX4 (0.43) CSNK2A1TSHR
SCHEMBL11453034 0.80 CSNK2A1 (0.36) CSNK2A1DHFRMAPTPDE4BALDH1A1
SCHEMBL3362970 0.79 PDE4B (0.42) CSNK2A1PDE4BALDH1A1HPGDPTPN1
SCHEMBL12429188 0.78 SLC6A4 (0.44) CSNK2A1MAPTALDH1A1
SCHEMBL13349984 0.78 CSNK2A1 (0.64) CSNK2A1CYP3A4TSHRPDE4BALDH1A1

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-0690050-B1 (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors ADIR (FR) 1999-11-17 EP disclosed
US-5635516-A SIDE EFFECT REDUCTION ADIR ET COMPAGNIE (FR) 1997-06-03 US disclosed
EP-0690050-A1 (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors ADIR ET COMPAGNIE (FR) 1996-01-03 EP disclosed