SCHEMBL6435277

SCHEMBL6435277

CC1(C)CC(=O)CC(C)(C)N1OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DHFR P00374 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.38
BACE1 P56817 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9242285 0.84 ALDH1A1 (0.54) MEN1KMT2ADHFRALDH1A1GAA
SCHEMBL6032201 0.84 DHFR (0.39) DHFRALDH1A1GAABACE1CA1
SCHEMBL27875517 0.82 DHFR (0.44) DHFRALDH1A1CA1CA2CA9
SCHEMBL4621770 0.81 DHFR (0.43) DHFRALDH1A1TAAR1
SCHEMBL4985361 0.77 DHFR (0.41) MEN1KMT2ADHFRALDH1A1GAA
SCHEMBL893078 0.74 GAA (0.38) MEN1KMT2AGAASMN1; SMN2HTT
SCHEMBL27957814 0.73 TSHR (0.46) MEN1KMT2ADHFRALDH1A1GAA
SCHEMBL13009249 0.72 GAA (0.41) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL10813336 0.71 ELANE (0.50) MEN1KMT2AALDH1A1GAAELANE
SCHEMBL7474629 0.71 KMT2A (0.41) MEN1KMT2AALDH1A1GAASMN1; SMN2

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-1572802-A1 STYRENIC POLYMER COMPOSITES Crompton Corporation (US) 2005-09-14 EP disclosed
WO-2004058881-A1 STYRENIC POLYMER COMPOSITES CROMPTON CORPORATION (US) 2004-07-15 WO disclosed