SCHEMBL7440968

SCHEMBL7440968

CCCCOc1ccc([CH]c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.63
RELA Q04206 1/20 0.56
CHRNA7 P36544 8/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHRNA10 Q9GZZ6 5/20 0.54
CHRNA9 Q9UGM1 5/20 0.54
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
CHRNB2 P17787 1/20 0.53
APOBEC3A P31941 1/20 0.53

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
SCHEMBL8696074 0.96 LTA4H (0.66) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL2242613 0.95 LTA4H (0.64) LTA4HRELACHRNA7TP53CHRNA10
SCHEMBL1618632 0.89 RELA (0.72) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL5741015 0.89 RELA (0.72) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL2089335 0.86 NR5A1 (0.63) LTA4HMAPTKDM4EALDH1A1TP53
SCHEMBL2622559 0.85 CHRNA7 (0.63) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL5739190 0.84 CHRNA7 (0.68) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL5739187 0.84 CHRNA7 (0.68) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL5740096 0.84 CHRNA7 (0.68) LTA4HRELACHRNA7MAPTKDM4E
SCHEMBL7538209 0.84 CHRNA7 (0.68) LTA4HRELACHRNA7MAPTKDM4E

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
US-5128337-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-07 US claimed