SCHEMBL5885245

SCHEMBL5885245

C=C(CC(C)(C)C(=O)OCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIN1 Q13526 1/20 0.46
MMP8 P22894 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL7065146 0.88 MMP8 (0.51) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL12121920 0.85 POLB (0.66) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL5884520 0.84 SRC (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL23657388 0.83 POLB (0.56) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL23738123 0.81 POLB (0.45) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL6232010 0.81 POLB (0.50) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL3382150 0.80 PPARA (0.43) ALDH1A1MAPTPOLBNPSR1MEN1
SCHEMBL23718650 0.79 POLB (0.43) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL6049020 0.79 ALDH1A1 (0.51) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL6067645 0.78 ALDH1A1 (0.53) ALDH1A1MAPTPOLBNPSR1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022762-B2 Method of emulsion polymerization AGFA-GEVAERT (BE) 2006-04-04 US disclosed
US-20060009574-A1 Method of emulsion polymerization AERT HUUB V 2006-01-12 US disclosed
US-20050020787-A1 Method of emulsion polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2005-01-27 US disclosed
US-20040176527-A1 Method of emulsion polymerization BARCLAYS BANK PLC, AS COLLATERAL AGENT 2004-09-09 US disclosed
EP-1217010-B1 Method of emulsion polymerization AGFA GEVAERT (BE) 2004-08-18 EP disclosed
EP-1217010-A1 Method of emulsion polymerization Agfa-Gevaert (BE) 2002-06-26 EP disclosed