SCHEMBL6202881

SCHEMBL6202881

COc1cccc(C([O])OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ACHE P22303 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP3A4 P08684 1/20 0.45
CASR P41180 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2093766 0.83 L3MBTL1 (0.53) AOC3L3MBTL1CA1CA2CA7
SCHEMBL6204636 0.83 RXRA (0.44) L3MBTL1ACHEALDH1A1MEN1KMT2A
SCHEMBL6204182 0.82 TP53 (0.49) L3MBTL1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL6204864 0.82 L3MBTL1 (0.51) AOC3L3MBTL1CA1CA2CA7
SCHEMBL8053712 0.82 L3MBTL1 (0.51) AOC3L3MBTL1CA1CA2CA7
SCHEMBL10290007 0.81 CASR (0.53) AOC3L3MBTL1CA1CA2CA7
SCHEMBL11563492 0.80 AOC3 (0.50) AOC3L3MBTL1CA1CA2CA7
SCHEMBL6204293 0.80 L3MBTL1 (0.50) AOC3L3MBTL1CA1CA2CA7
SCHEMBL1742768 0.79 AOC3 (0.50) AOC3L3MBTL1CA1CA2CA7
SCHEMBL7681682 0.79 AOC3 (0.50) AOC3L3MBTL1CA1CA2CA7

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