SCHEMBL11048002

SCHEMBL11048002

FC(F)(F)c1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.44
CYP3A4 P08684 1/20 0.43
ESRRA P11474 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PPARG P37231 1/20 0.42
IDO1 P14902 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AR P10275 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL1685381 0.97 LTA4H (0.46) LTA4HPTGS2MRGPRX1CYP3A4ESRRA
SCHEMBL11521654 0.86 LTA4H (0.58) LTA4HPTGS2MRGPRX1RXRARXRB
SCHEMBL1339067 0.85 KDM4E (0.52) LTA4HPTGS2MRGPRX1CYP3A4RXRA
SCHEMBL10368048 0.85 RXRA (0.41) LTA4HPTGS2MRGPRX1CYP3A4ESRRA
SCHEMBL21858138 0.85 L3MBTL1 (0.47) LTA4HPTGS2MRGPRX1CYP3A4ESRRA
SCHEMBL10902334 0.85 AR (0.53) LTA4HPTGS2MRGPRX1CYP3A4ESRRA
SCHEMBL11144791 0.85 LTA4H (0.40) LTA4HPTGS2MRGPRX1CYP3A4ESRRA
SCHEMBL5379995 0.85 AR (0.53) LTA4HPTGS2MRGPRX1RXRARXRB
SCHEMBL1676646 0.84 LTA4H (0.53) LTA4HPTGS2MRGPRX1RXRARXRB
SCHEMBL946862 0.83 AR (0.41) LTA4HPTGS2MRGPRX1CYP3A4ESRRA

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-4450308-A Process for the preparation of trifluoromethylphenyl oxyphenyl ether compounds BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
US-4450308-A Process for the preparation of trifluoromethylphenyl oxyphenyl ether compounds BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
US-4450308-A Process for the preparation of trifluoromethylphenyl oxyphenyl ether compounds BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed