SCHEMBL4187097

SCHEMBL4187097

CCOc1cc(CO)cc(Oc2ccc(C(F)(F)F)cn2)c1.OCc1cc(O)cc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
HPGD P15428 1/20 0.49
LIPE Q05469 2/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
SCN9A Q15858 10/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1011905 0.94 MAPK1 (0.69) MAPK1HPGDLIPELMNATHRB
SCHEMBL1011777 0.92 MAPK1 (0.51) MAPK1HPGDLIPELMNATHRB
SCHEMBL1010121 0.85 MAPK1 (0.69) MAPK1HPGDLIPELMNATHRB
SCHEMBL14810451 0.81 MAPK1 (0.53) MAPK1HPGDLIPELMNATHRB
SCHEMBL1011792 0.79 THRB (0.57) MAPK1HPGDLIPELMNATHRB
SCHEMBL4187101 0.78 MAPK1 (0.51) MAPK1HPGDLIPELMNATHRB
SCHEMBL1012147 0.77 MAPK1 (0.61) MAPK1HPGDLIPELMNATHRB
SCHEMBL9255996 0.76 MAPK1 (0.74) MAPK1HPGDLIPELMNATHRB
SCHEMBL1009491 0.76 MAPK1 (0.66) MAPK1LIPETHRBSCN9AFAAH
SCHEMBL7937160 0.75 LIPE (0.59) MAPK1LIPELMNATHRBSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed