SCHEMBL9561491

SCHEMBL9561491

CCOc1c(F)cc(C(O)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PPARG P37231 1/20 0.33
PSEN1 P49768 1/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TACR1 P25103 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
LTA4H P09960 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
LPAR1 Q92633 1/20 0.31

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
SCHEMBL9561496 1.00 ALOX5 (0.33) ALOX5L3MBTL1LMNAMAPTATM
SCHEMBL9560512 0.91 LMNA (0.40) ALOX5L3MBTL1LMNAMAPTATM
SCHEMBL9561335 0.88 CETP (0.41) FFAR1CETP
SCHEMBL9561343 0.88 CETP (0.41) FFAR1CETP
SCHEMBL9637902 0.86 L3MBTL1 (0.33) ALOX5L3MBTL1LMNAMAPTATM
SCHEMBL9637906 0.86 L3MBTL1 (0.33) ALOX5L3MBTL1LMNAMAPTATM
SCHEMBL9560338 0.86 ALOX5 (0.33) ALOX5PPARGPSEN1TACR1FFAR1
SCHEMBL9560793 0.86 NR4A1 (0.36) TACR1LPAR1LPAR5CETPTTR
SCHEMBL9560403 0.86 NR3C2 (0.37) ALOX5L3MBTL1LMNALPAR1LPAR5
SCHEMBL9560585 0.86 MAPK14 (0.39) ALOX5PPARGPSEN1TACR1FFAR1

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 3 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
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed