SCHEMBL4544271

SCHEMBL4544271

FC(F)(F)c1ccc[c]c1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
TSHR P16473 2/20 0.38
MAOB P27338 2/20 0.36
RAB9A P51151 1/20 0.35
PARP10 Q53GL7 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 2/20 0.33
MGLL Q99685 1/20 0.33
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 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
SCHEMBL8129500 0.85 MAPK8 (0.36) LTA4HMAOBMAPTPTGS2
SCHEMBL8125843 0.85 KMT2A (0.40) LTA4HMAOBRAB9APARP10MAPT
SCHEMBL5632254 0.82 LTA4H (0.38) LTA4HTSHRRAB9APARP10ALDH1A1
SCHEMBL8115367 0.81 LMNA (0.44) LTA4HRAB9AALDH1A1TDP1L3MBTL1
SCHEMBL8130158 0.77 AR (0.45) TSHRRAB9AALDH1A1
SCHEMBL162258 0.76 KMT2A (0.33) MAOBRAB9AMAPTIDO1ALDH1A1
SCHEMBL1929863 0.76 LTA4H (0.42) LTA4HTSHRMAOBPARP10MAPT
SCHEMBL11141243 0.76 LTA4H (0.42) LTA4HTSHRMAOBPARP10MAPT
SCHEMBL1068440 0.76 HSD11B1 (0.33) MAOBIDO1ALDH1A1POLBTDP1
SCHEMBL4932041 0.76 LTA4H (0.42) LTA4HTSHRPARP10TDP1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
EP-0095683-A1 Trifluoromethylphenoxyphenyl derivatives, process for their preparation and their use as herbicides BAYER AG (DE) 1983-12-07 EP disclosed
EP-0095683-A1 Trifluoromethylphenoxyphenyl derivatives, process for their preparation and their use as herbicides BAYER AG (DE) 1983-12-07 EP disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 US disclosed
EP-0077962-A1 Derivatives of silicium of trifluoromethylphenoxyphenyl, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP disclosed
EP-0077962-A1 Derivatives of silicium of trifluoromethylphenoxyphenyl, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 EP disclosed