SCHEMBL6204636

SCHEMBL6204636

COC([O])c1cccc(OC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ACHE P22303 3/20 0.43
PTGS1 P23219 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BCHE P06276 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
FAAH O00519 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 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
SCHEMBL8053572 0.83 RXRA (0.47) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6202881 0.83 AOC3 (0.50) ACHEKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3721185 0.79 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL27708876 0.79 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL2737262 0.79 KDM4E (0.49) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6204640 0.79 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6204182 0.77 TP53 (0.49) RXRARXRBKMT2AMEN1GAA
SCHEMBL31483419 0.76 RXRA (0.45) RXRARXRBACHEPTGS1KMT2A
SCHEMBL2968363 0.76 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL14157496 0.76 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
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