SCHEMBL3680773

SCHEMBL3680773

C=CCC(CC(C)(CCC)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
HTR1A P08908 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3677522 0.93 CYP2D6 (0.43) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL4576738 0.85 CYP2D6 (0.48) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL1071748 0.84 CYP2C19 (0.40) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL30366973 0.80 CYP2D6 (0.53) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL15074109 0.78 TSHR (0.46) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL7875432 0.78 TSHR (0.52) CYP2D6CYP2C19KMT2AMEN1LMNA
SCHEMBL1783799 0.76 CYP2D6 (0.58) CYP2D6CYP2C19CYP1A2KMT2AMEN1
SCHEMBL31216697 0.74 MEN1 (0.47) KMT2AMEN1LMNATSHRALOX12
SCHEMBL31216696 0.74 MEN1 (0.47) KMT2AMEN1LMNATSHRALOX12
SCHEMBL31216725 0.74 MEN1 (0.47) KMT2AMEN1LMNATSHRALOX12

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-2185600-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE Dow Global Technologies Inc. (US) 2010-05-19 EP disclosed
WO-2009029447-A1 SELF-LIMITING CATALYST COMPOSITION WITH NO SILANE DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-05 WO disclosed