SCHEMBL11046440

SCHEMBL11046440

COc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.70
MAPT P10636 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
FFAR1 O14842 3/20 0.48
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
MRGPRX4 Q96LA9 3/20 0.45

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
SCHEMBL10538095 0.92 NPSR1 (0.57) L3MBTL1MAPTNPSR1RAB9ACYP1A2
SCHEMBL15832050 0.90 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1KDM4ELMNA
SCHEMBL11238861 0.86 L3MBTL1 (0.68) L3MBTL1MAPTNPSR1KDM4ELMNA
SCHEMBL7597428 0.85 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1LMNACYP1A2
SCHEMBL11648951 0.85 FFAR1 (0.50) L3MBTL1MAPTNPSR1FFAR1MEN1
SCHEMBL10835959 0.85 MAPK1 (0.59) L3MBTL1MAPTNPSR1LMNAFFAR1
SCHEMBL9132379 0.84 FFAR1 (0.49) L3MBTL1MAPTNPSR1KDM4ELMNA
SCHEMBL8748952 0.83 FFAR1 (0.49) L3MBTL1MAPTNPSR1KDM4ERAB9A
SCHEMBL9003844 0.83 FFAR1 (0.60) L3MBTL1MAPTNPSR1RAB9ACYP1A2
SCHEMBL10689605 0.82 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1RAB9ACYP1A2

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 7 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 claimed
EP-0033885-B1 PROCESS FOR THE PREPARATION OF (2-CHLORO-4-TRIFLUORMETHYL-PHENYL)-(3-METHOXY-PHENYL)-ETHER BAYER AG (DE) 1984-03-21 EP claimed
US-4450308-A Process for the preparation of trifluoromethylphenyl oxyphenyl ether compounds BAYER AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed
EP-0033885-B1 PROCESS FOR THE PREPARATION OF (2-CHLORO-4-TRIFLUORMETHYL-PHENYL)-(3-METHOXY-PHENYL)-ETHER BAYER AG (DE) 1984-03-21 EP disclosed
EP-0033885-B1 PROCESS FOR THE PREPARATION OF (2-CHLORO-4-TRIFLUORMETHYL-PHENYL)-(3-METHOXY-PHENYL)-ETHER BAYER AG (DE) 1984-03-21 EP disclosed
EP-0033885-A1 Process for the preparation of (2-chloro-4-trifluormethyl-phenyl)-(3-methoxy-phenyl)-ether BAYER AG (DE) 1981-08-19 EP disclosed
EP-0033885-A1 Process for the preparation of (2-chloro-4-trifluormethyl-phenyl)-(3-methoxy-phenyl)-ether BAYER AG (DE) 1981-08-19 EP disclosed