SCHEMBL3677522

SCHEMBL3677522

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
ALOX12 P18054 1/20 0.37
CTSK P43235 2/20 0.37
TDP1 Q9NUW8 2/20 0.34
HTR1A P08908 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 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
SCHEMBL3680773 0.93 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1071748 0.82 CYP2C19 (0.40) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL569745 0.81 CYP2D6 (0.51) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL4576738 0.79 CYP2D6 (0.48) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL571001 0.78 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19MEN1KMT2A
SCHEMBL31216728 0.77 MEN1 (0.47) MEN1KMT2ALMNATSHRALOX12
SCHEMBL31216696 0.77 MEN1 (0.47) MEN1KMT2ALMNATSHRALOX12
SCHEMBL31216720 0.77 MEN1 (0.47) MEN1KMT2ALMNATSHRALOX12
SCHEMBL31216725 0.77 MEN1 (0.47) MEN1KMT2ALMNATSHRALOX12
SCHEMBL31216697 0.77 MEN1 (0.47) MEN1KMT2ALMNATSHRALOX12

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