SCHEMBL4552377

SCHEMBL4552377

CC(C)(C)OC(=O)N1[CH]CC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 1/20 0.35
PDK4 Q16654 1/20 0.35
CTSK P43235 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
SCHEMBL20265001 0.77 USP2 (0.46) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL31028 0.74 USP2 (0.56) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL27669441 0.74 USP2 (0.56) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL28688256 0.73 ESR2 (0.41) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL795243 0.73 USP2 (0.42) USP2SMN1; SMN2ESR2NR1H2GPR119
Ammonia Solution, Strong SCHEMBL27841683 0.73 USP2 (0.55) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL2600437 0.72 SMN1; SMN2 (0.56) USP2SMN1; SMN2ESR2MAPTKDM4E
Ethylene SCHEMBL3832936 0.71 USP2 (0.53) USP2SMN1; SMN2ESR2MAPTKDM4E
SCHEMBL188772 0.71 HPGD (0.41) USP2SMN1; SMN2ESR2NR1H2MEN1
SCHEMBL17481737 0.71 USP2 (0.41) USP2SMN1; SMN2ESR2MAPTKDM4E

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-2045245-B1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF TIAN JIN HEMAY BIO TECH CO LTD (CN) 2013-10-23 EP disclosed
EP-2045245-A1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-04-08 EP disclosed