SCHEMBL6202388

SCHEMBL6202388

CC(C)OC(OC(C)C)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AOC3 Q16853 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ACHE P22303 1/20 0.40
MTOR P42345 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL29148827 0.79 AOC3 (0.49) IDO1TDO2CES2CES1AOC3
SCHEMBL3743698 0.79 AOC3 (0.53) IDO1TDO2CES2CES1AOC3
SCHEMBL27273704 0.78 ACHE (0.44) IDO1AOC3ACHE
SCHEMBL28597604 0.77 ACHE (0.44) IDO1TDO2CES2CES1AOC3
SCHEMBL792296 0.76 ACHE (0.48) IDO1TDO2CES2CES1AOC3
SCHEMBL179253 0.76 ACHE (0.48) IDO1TDO2CES2CES1AOC3
SCHEMBL10861290 0.76 AOC3 (0.42) AOC3
SCHEMBL6203346 0.76 IDO1 (0.44) IDO1TDO2
Methoxymethane SCHEMBL28044286 0.75 AOC3 (0.49) IDO1TDO2CES2CES1AOC3
SCHEMBL6204825 0.74 CASR (0.47) AOC3ACHE

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