SCHEMBL6204441

SCHEMBL6204441

[O]C(c1cccc(F)c1)C(O)CO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
CNR2 P34972 1/20 0.41
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL6204443 0.81 PPARG (0.46) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6202479 0.80 IDO1 (0.39) SLC6A2SLC6A4IDO1TDO2
SCHEMBL15714990 0.79 SLC6A2 (0.44) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL16419139 0.77 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL16412814 0.77 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL17660052 0.77 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL30988818 0.77 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL6202122 0.77 CES2 (0.56) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL13263062 0.75 HDAC4 (0.47) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL25270476 0.73 HDAC4 (0.46) CES2CES1HDAC4HDAC7HDAC5

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