SCHEMBL6204443

SCHEMBL6204443

OCC(O)C(O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
AOC3 Q16853 1/20 0.41
CNR2 P34972 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 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
SCHEMBL11603896 0.83 CES2 (0.55) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL15050109 0.83 SLC6A2 (0.46) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL15050110 0.83 SLC6A2 (0.46) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL15050108 0.83 SLC6A2 (0.46) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL6204441 0.81 CES2 (0.47) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL15714990 0.81 SLC6A2 (0.44) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL17660052 0.80 CES2 (0.49) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL16412814 0.80 CES2 (0.49) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL16419139 0.80 CES2 (0.49) CES2CES1SLC6A2SLC6A4HDAC4
SCHEMBL30988818 0.80 CES2 (0.49) CES2CES1SLC6A2SLC6A4HDAC4

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