SCHEMBL5884983

SCHEMBL5884983

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.40
XPO1 O14980 1/20 0.40
GAA P10253 3/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
PIN1 Q13526 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
HSD11B1 P28845 1/20 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
SCHEMBL5203973 0.84 MEN1 (0.47) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL5884800 0.84 ALDH1A1 (0.44) MAPTALDH1A1KMT2ACYP2C19HIF1A
SCHEMBL1626849 0.82 OPRM1 (0.52) MAPTALDH1A1MEN1KMT2ACASP1
SCHEMBL23736511 0.80 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL21447568 0.80 HSD11B1 (0.52) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL9799303 0.80 CYP2C19 (0.50) MAPTALDH1A1KMT2ACYP2C19HIF1A
SCHEMBL12537092 0.80 MAPT (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28722852 0.78 MAPT (0.53) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL1625711 0.77 CCR1 (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28977478 0.76 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ACYP2C19

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