SCHEMBL9560435

SCHEMBL9560435

Cc1ccc(C(O)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
CETP P11597 9/20 0.41
FFAR4 Q5NUL3 2/20 0.39
MMP13 P45452 1/20 0.38
FAAH O00519 1/20 0.38
MAPK14 Q16539 2/20 0.38
LMNA P02545 1/20 0.38
ADRA2A P08913 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9561097 0.91 MAPK14 (0.44) FFAR1CETPFFAR4MAPK14
SCHEMBL9560466 0.90 ALDH1A1 (0.48) FFAR1CETPFFAR4FAAHMAPK14
SCHEMBL9560674 0.89 CETP (0.39) FFAR1CETPFFAR4MAPK14LMNA
SCHEMBL9560412 0.88 LTA4H (0.46) FFAR1CETPFFAR4MAPK14LMNA
SCHEMBL9560889 0.87 MAPK14 (0.49) FFAR1CETPFFAR4MAPK14
SCHEMBL9560352 0.84 FFAR1 (0.42) FFAR1CETPFFAR4MMP13FAAH
SCHEMBL9561343 0.83 CETP (0.41) FFAR1CETPFFAR4
SCHEMBL9561335 0.83 CETP (0.41) FFAR1CETPFFAR4
SCHEMBL9558585 0.83 FFAR1 (0.47) FFAR1CETPFFAR4MMP13FAAH
SCHEMBL9560382 0.81 FFAR1 (0.41) FFAR1CETPFFAR4L3MBTL1

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