SCHEMBL9561330

SCHEMBL9561330

FC(F)(F)Oc1ccc(/C(=C/OCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
CETP P11597 6/20 0.40
CNR1 P21554 1/20 0.40
GRIN2B Q13224 2/20 0.40
PPARG P37231 5/20 0.39
PPARA Q07869 4/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
EGFR P00533 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX5 P09917 1/20 0.38
ADRB3 P13945 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 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
SCHEMBL9561332 1.00 MAPK14 (0.44) MAPK14TRPV1MRGPRX4CETPCNR1
SCHEMBL9560817 0.92 MAPK14 (0.52) MAPK14MRGPRX4CETPGRIN2B
SCHEMBL9560811 0.92 MAPK14 (0.52) MAPK14MRGPRX4CETPGRIN2B
SCHEMBL9560901 0.80 MAPK14 (0.39) MAPK14TRPV1MRGPRX4CETPGRIN2B
SCHEMBL9560896 0.80 MAPK14 (0.39) MAPK14TRPV1MRGPRX4CETPGRIN2B
SCHEMBL9561472 0.80 LTA4H (0.46) MAPK14MRGPRX4CETPLMNA
SCHEMBL9561470 0.80 LTA4H (0.46) MAPK14MRGPRX4CETPLMNA
SCHEMBL9560570 0.77 L3MBTL1 (0.38) MRGPRX4LMNAALDH1A1CYP2C9PTGER4
SCHEMBL9560573 0.77 L3MBTL1 (0.38) MRGPRX4LMNAALDH1A1CYP2C9PTGER4
SCHEMBL9493701 0.75 ALDH1A1 (0.38) MAPK14TRPV1CETPGRIN2BALDH1A1

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