SCHEMBL6203484

SCHEMBL6203484

CCOCCO[CH]c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
APP P05067 1/20 0.48
CHRM5 P08912 1/20 0.47
RELA Q04206 1/20 0.46
NFE2L2 Q16236 3/20 0.44
CYP19A1 P11511 1/20 0.43
NQO2 P16083 1/20 0.43
CHRNA7 P36544 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL6204705 0.88 KDM4E (0.49) ALOX15APPRELACYP1A2
SCHEMBL6205129 0.79 NFE2L2 (0.44) CHRM5RELANFE2L2NQO2CYP1A2
SCHEMBL6204519 0.79 ALDH1A1 (0.42) CHRNA7CYP1A2
SCHEMBL8340935 0.78 RELA (0.40) ALOX15RELACHRNA7CYP1A2
SCHEMBL6204379 0.77 CHRM5 (0.53) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL8341640 0.76 RELA (0.39) ALOX15RELACHRNA7CYP1A2
SCHEMBL5038332 0.75 MAPK1 (0.62) ALOX15APPCYP1A2
SCHEMBL3675720 0.74 CHRM5 (0.62) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL16619043 0.72 CHRM5 (0.60) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL6615780 0.70 CHRM5 (0.62) CHRM5RELANFE2L2CYP19A1NQO2

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed