SCHEMBL9560412

SCHEMBL9560412

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
CETP P11597 2/20 0.45
FFAR1 O14842 7/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.39
FABP1 P07148 1/20 0.38
MAPK14 Q16539 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9560497 0.93 ALDH1A1 (0.41) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560466 0.89 ALDH1A1 (0.48) LTA4HCETPFFAR1FFAR4TP53
SCHEMBL9561343 0.89 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9561335 0.89 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9560435 0.88 FFAR1 (0.45) CETPFFAR1FFAR4MAPK14LMNA
SCHEMBL9561097 0.88 MAPK14 (0.44) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560382 0.87 FFAR1 (0.41) CETPFFAR1FFAR4MRGPRX4L3MBTL1
SCHEMBL9560443 0.87 LTA4H (0.48) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560889 0.87 MAPK14 (0.49) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560674 0.86 CETP (0.39) CETPFFAR1FFAR4SMN1; SMN2MAPK14

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 4 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
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 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