SCHEMBL4187101

SCHEMBL4187101

CCOc1cc(Oc2ccc(C(F)(F)F)cn2)cc(C(O)c2c(CO)cc(O)cc2Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.45
SCN9A Q15858 13/20 0.39
LIPE Q05469 2/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL4187097 0.78 MAPK1 (0.62) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL1011905 0.76 MAPK1 (0.69) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL4198445 0.73 MAPK1 (0.53) MAPK1HPGDSCN9ALIPETHRB
SCHEMBL1010121 0.70 MAPK1 (0.69) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL1011777 0.69 MAPK1 (0.51) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL9255996 0.69 MAPK1 (0.74) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL8026492 0.66 MAPK1 (0.56) MAPK1SCN9ALIPELMNATHRB
SCHEMBL5119799 0.65 MAPK1 (0.58) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL1012147 0.65 MAPK1 (0.61) MAPK1HPGDSCN9ALIPELMNA
SCHEMBL14810451 0.64 MAPK1 (0.53) MAPK1HPGDSCN9ALIPELMNA

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