SCHEMBL7929627

SCHEMBL7929627

CCCC(CC)(C(=O)c1ccc(OCCO)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
GAA P10253 1/20 0.44
RARB P10826 4/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
PLK1 P53350 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL7929619 0.88 NR1I2 (0.46) NR1I2GAARARBTSHRL3MBTL1
SCHEMBL5675150 0.84 NR1I2 (0.43) NR1I2GAARARBL3MBTL1ALDH1A1
SCHEMBL5897070 0.83 GAA (0.50) NR1I2GAAALDH1A1MEN1KMT2A
SCHEMBL19881701 0.78 NR1I2 (0.51) NR1I2GAARARBTSHRL3MBTL1
SCHEMBL13310000 0.77 EGFR (0.39) GAAL3MBTL1THRATHRBALDH1A1
SCHEMBL3433517 0.76 LMNA (0.39) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5419941 0.76 NR1I2 (0.56) NR1I2GAARARBTSHRL3MBTL1
SCHEMBL11076358 0.76 HDAC3 (0.45) NR1I2ALDH1A1HPGDMEN1KMT2A
SCHEMBL4423433 0.75 MLYCD (0.34) TSHRALDH1A1HPGD
SCHEMBL1630463 0.74 MAPT (0.46) GAAL3MBTL1ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204306-B1 ALPHA-AMINOACETOPHENONES FUNCTIONALIZED WITH ORGANIC DIISOCYANATES, WHICH CAN BE USED AS REACTIVE PHOTOINITIATORS; NOVARTIS AG (CH) 2001-03-20 US disclosed
US-6099122-A REACTING AN OLIGOMER OR POLYMER COTAINING GROUPS COREACTIVE WITH ISOCYANATE GROUPS WITH A FUNCTIONAL PHOTOINITIATOR TO FORM MACROINITIATOR, APPLYING THE THIN LAYER OF MACROINITIATOR TO A REACTIVE SURFACE, IRRIDATING WITH UV RAD CIBA VISION CORPORATION (US) 2000-08-08 US disclosed
EP-0800511-B1 FUNCTIONALISED PHOTOINITIATORS, DERIVATIVES AND MACROMERS THEREFROM AND THEIR USE NOVARTIS AG (CH) 2000-01-26 EP disclosed
EP-0808222-B1 PROCESS FOR THE FUNCTIONALISATION OF SURFACES NOVARTIS AG (CH) 1999-05-19 EP disclosed
WO-1996020796-A1 PROCESS FOR THE FUNCTIONALISATION OF SURFACES NOVARTIS AG (CH) 1996-07-11 WO disclosed