SCHEMBL6204097

SCHEMBL6204097

COC(O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MC4R P32245 1/20 0.33
ACHE P22303 1/20 0.32
BCHE P06276 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL6203796 0.77 CES2 (0.32) CES2CES1
SCHEMBL6990818 0.77 CES2 (0.40) CES2CES1ALDH1A1GAAMC4R
SCHEMBL4677222 0.77 CES2 (0.37) CES2CES1ALDH1A1MC4RKMT2A
SCHEMBL6204871 0.76 CES2 (0.44) CES2CES1ALDH1A1GAAMC4R
SCHEMBL16892295 0.74 CES2 (0.36) CES2CES1ALDH1A1GAAMC4R
SCHEMBL20386379 0.74 CES2 (0.34) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL25663412 0.74 CES2 (0.34) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL20408814 0.74
SCHEMBL20238836 0.73 CES2 (0.48) CES2CES1ALDH1A1ACHEBCHE
SCHEMBL22339022 0.73 CES2 (0.48) CES2CES1ALDH1A1ACHEBCHE

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