SCHEMBL6204825

SCHEMBL6204825

COc1cccc(C(OC(C)C)OC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.47
AOC3 Q16853 3/20 0.46
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 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
SCHEMBL29671559 0.85 AOC3 (0.49) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL6204381 0.82 AOC3 (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL14060408 0.80 CASR (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL5990929 0.80 CASR (0.50) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL10290007 0.79 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL30601580 0.79 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL84440 0.79 HDAC4 (0.55) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL11619720 0.79 CASR (0.53) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL11965250 0.78 CASR (0.49) CASRAOC3ACHEL3MBTL1TAAR1
SCHEMBL10446047 0.78 AOC3 (0.53) CASRAOC3ACHEL3MBTL1TAAR1

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