SCHEMBL6204640

SCHEMBL6204640

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 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
AOC3 Q16853 2/20 0.41
BCHE P06276 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTPN5 P54829 1/20 0.38
POLB P06746 1/20 0.38
MARK4 Q96L34 1/20 0.37

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
SCHEMBL6055421 0.83 RXRA (0.47) RXRARXRBACHEL3MBTL1PTGS1
SCHEMBL6202883 0.83 AOC3 (0.56) ACHEL3MBTL1AOC3ALDH1A1
SCHEMBL6055201 0.81 RXRA (0.46) RXRARXRBACHEL3MBTL1PTGS1
SCHEMBL2737262 0.79 KDM4E (0.49) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6204636 0.79 RXRA (0.44) RXRARXRBACHEL3MBTL1PTGS1
SCHEMBL16937842 0.78 L3MBTL1 (0.50) RXRARXRBACHEL3MBTL1HTT
SCHEMBL1417003 0.77 RXRA (0.43) RXRARXRBACHEL3MBTL1PTGS1
SCHEMBL6204184 0.77 TP53 (0.49) RXRARXRBL3MBTL1AOC3ALDH1A1
SCHEMBL6055487 0.77 LMNA (0.50) RXRARXRBACHEL3MBTL1HTT
SCHEMBL6396089 0.77 PTGS1 (0.53) 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 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