SCHEMBL9560585

SCHEMBL9560585

OC(COCc1ccc(F)c(Oc2ccccc2)c1)(c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PSEN1 P49768 1/20 0.35
FFAR1 O14842 2/20 0.35
MAOB P27338 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL9560403 0.93 NR3C2 (0.37) MEN1KMT2AALOX5RXFP1SMN1; SMN2
SCHEMBL9560709 0.92 L3MBTL1 (0.36) MRGPRX4PPARGFFAR1SMN1; SMN2
SCHEMBL9560793 0.91 NR4A1 (0.36) KMT2ATACR1MAOB
SCHEMBL9560800 0.91 SMN1; SMN2 (0.35) MAPK14TACR1MRGPRX4SMN1; SMN2
SCHEMBL9560878 0.90 LMNA (0.41) FFAR1SMN1; SMN2
SCHEMBL9561340 0.90 LTA4H (0.38) MAPK14LTA4HEPHX2TACR1MRGPRX4
SCHEMBL9560338 0.89 ALOX5 (0.33) LTA4HEPHX2TACR1ALOX5PPARG
SCHEMBL9560512 0.89 LMNA (0.40) LTA4HMRGPRX4ALOX5PPARGPSEN1
SCHEMBL9561496 0.86 ALOX5 (0.33) LTA4HTACR1MRGPRX4ALOX5PPARG
SCHEMBL9561491 0.86 ALOX5 (0.33) LTA4HTACR1MRGPRX4ALOX5PPARG

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