SCHEMBL22485461

SCHEMBL22485461

c1ccc(Oc2ccc(CCNN3CCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.49
EPHX2 P34913 5/20 0.49
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
FFAR1 O14842 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
CACNA1B Q00975 2/20 0.43
FES P07332 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL7375501 0.85 SIGMAR1 (0.56) LTA4HSIGMAR1
SCHEMBL7327938 0.83 SIGMAR1 (0.54) SIGMAR1
SCHEMBL21882019 0.77 SIGMAR1 (0.50) SIGMAR1
SCHEMBL19322270 0.73 LTA4H (0.67) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL1108563 0.73 TAAR1 (0.67) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL12312565 0.72 SLC2A1 (0.63) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL28724005 0.71 FFAR1 (0.64) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL8496409 0.70 LTA4H (0.62) LTA4HEPHX2PLAAT3PLAAT5PLAAT2
SCHEMBL9081140 0.70 LTA4H (0.82) LTA4HEPHX2
SCHEMBL8499156 0.70 LTA4H (0.82) LTA4HEPHX2

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
WO-2020198062-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-01 WO disclosed