SCHEMBL9560889

SCHEMBL9560889

OC(COCc1cccc(Oc2ccccc2)c1)(c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
CETP P11597 9/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
TACR1 P25103 1/20 0.42
FFAR1 O14842 2/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NR3C1 P04150 1/20 0.39

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
SCHEMBL9560703 0.92 MAPK14 (0.42) MAPK14CETPMRGPRX4
SCHEMBL9561097 0.90 MAPK14 (0.44) MAPK14CETPMRGPRX4TACR1FFAR1
SCHEMBL9560466 0.89 ALDH1A1 (0.48) MAPK14CETPFFAR1LTA4HFFAR4
SCHEMBL9560435 0.87 FFAR1 (0.45) MAPK14CETPFFAR1FFAR4
SCHEMBL9560412 0.87 LTA4H (0.46) MAPK14CETPMRGPRX4FFAR1LTA4H
SCHEMBL9560923 0.86 MAPK14 (0.48) MAPK14CETPMRGPRX4TACR1FFAR1
SCHEMBL9560674 0.85 CETP (0.39) MAPK14CETPFFAR1FFAR4
SCHEMBL9561340 0.85 LTA4H (0.38) MAPK14CETPMRGPRX4TACR1LTA4H
SCHEMBL8675859 0.85 MAPK14 (0.49) MAPK14CETPMRGPRX4TACR1FFAR1
SCHEMBL9560464 0.84 MAPK14 (0.47) MAPK14CETPMRGPRX4TACR1FFAR1

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