SCHEMBL9560713

SCHEMBL9560713

CCOc1ccc(C(Cl)(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 0.43
FFAR1 O14842 5/20 0.42
FFAR4 Q5NUL3 1/20 0.41
MAPK1 P28482 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9560848 0.94 ALDH1A1 (0.42) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560366 0.89 KDM4E (0.48) LTA4HCETPFFAR1FFAR4SMN1; SMN2
SCHEMBL9561530 0.89 CETP (0.39) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9561537 0.89 CETP (0.39) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560352 0.88 FFAR1 (0.42) CETPFFAR1FFAR4SMN1; SMN2LMNA
SCHEMBL9560723 0.87 FFAR1 (0.39) CETPFFAR1FFAR4MAPK1L3MBTL1
SCHEMBL9560443 0.87 LTA4H (0.48) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560464 0.87 MAPK14 (0.47) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560419 0.86 KDM4E (0.39) CETPFFAR1FFAR4SMN1; SMN2LMNA
SCHEMBL9560321 0.85 MAPT (0.40) LTA4HFFAR1MAPK1LMNAMAPT

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