SCHEMBL5693336

SCHEMBL5693336

C=CC(=O)NCC(C)(C)CNC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TGM2 P21980 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL4789482 0.92 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL485490 0.84 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
Dimethylamine SCHEMBL9134759 0.83 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL138083 0.83 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12314771 0.82 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7754139 0.82 ALDH1A1 (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5693410 0.81 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5693415 0.80 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27917330 0.78 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL30511889 0.78 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487882-B1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN CHEM FAB GMBH (DE) 2006-05-24 EP disclosed
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed