SCHEMBL6576878

SCHEMBL6576878

CC(C)Oc1ccc(C(CC(=O)O)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.50
PARP10 Q53GL7 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2223462 0.87 KMT2A (0.53) KMT2AMEN1SMN1; SMN2PARP10NPSR1
SCHEMBL31483432 0.83 L3MBTL1 (0.64) KMT2ASMN1; SMN2PARP10NPSR1CNR2
SCHEMBL11325699 0.79 FFAR1 (0.49) KMT2AMEN1SMN1; SMN2POLBPLA2G1B
SCHEMBL6576834 0.79 ESR1 (0.50) KMT2AMEN1PLA2G1BATG4BALDH1A1
SCHEMBL25152385 0.78 TAAR1 (0.55) KMT2AMEN1PLA2G1BATG4B
SCHEMBL1234229 0.78 TAAR1 (0.55) KMT2AMEN1PLA2G1BATG4B
SCHEMBL25152144 0.78 TAAR1 (0.55) KMT2AMEN1PLA2G1BATG4B
SCHEMBL15592467 0.77 FFAR1 (0.50) KMT2AMEN1NPSR1PLA2G1BATG4B
SCHEMBL27838831 0.76 FFAR1 (0.60) KMT2ASMN1; SMN2PARP10NPSR1CNR2
SCHEMBL7429469 0.76 KMT2A (0.47) KMT2AMEN1SMN1; SMN2PARP10NPSR1

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
EP-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 WO disclosed