SCHEMBL9561472

SCHEMBL9561472

CCOc1ccc(C(=COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
CETP P11597 2/20 0.45
FFAR1 O14842 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR4A2 P43354 1/20 0.39
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FABP1 P07148 1/20 0.38

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
SCHEMBL9561470 1.00 LTA4H (0.46) LTA4HCETPFFAR1SMN1; SMN2TP53
SCHEMBL9561674 0.87 CETP (0.42) LTA4HCETPFFAR1FFAR4MAPK14
SCHEMBL9561670 0.87 CETP (0.42) LTA4HCETPFFAR1FFAR4MAPK14
SCHEMBL9560811 0.87 MAPK14 (0.52) LTA4HCETPFFAR1MRGPRX4FFAR4
SCHEMBL9560817 0.87 MAPK14 (0.52) LTA4HCETPFFAR1MRGPRX4FFAR4
SCHEMBL9804338 0.83 LTA4H (0.46) LTA4HCETPFFAR1SMN1; SMN2TP53
SCHEMBL9804448 0.83 LTA4H (0.46) LTA4HCETPFFAR1SMN1; SMN2TP53
SCHEMBL9804345 0.83 LTA4H (0.46) LTA4HCETPFFAR1SMN1; SMN2TP53
SCHEMBL9561332 0.80 MAPK14 (0.44) CETPMRGPRX4LMNAMAPK14
SCHEMBL9561330 0.80 MAPK14 (0.44) CETPMRGPRX4LMNAMAPK14

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
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed