SCHEMBL5884520

SCHEMBL5884520

C=C(CC(C)(C)C(=O)OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
PRSS1 P07477 3/20 0.46
CTSG P08311 3/20 0.46
CTRB1 P17538 3/20 0.46
CMA1 P23946 3/20 0.46
KCNN4 O15554 1/20 0.44
ELANE P08246 2/20 0.44
TSHR P16473 2/20 0.44
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
CES1 P23141 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL380738 0.84 SRC (0.53) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL5885245 0.84 ALDH1A1 (0.50) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL3382150 0.82 PPARA (0.43) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL20533982 0.79 PRSS1 (0.43) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL6049022 0.75 TDP1 (0.41) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL7065146 0.74 MMP8 (0.51) TSHRKMT2APOLBTDP1ALDH1A1
SCHEMBL2399414 0.74 MAOA (0.47) MAOAMAOBKMT2APOLBALDH1A1
SCHEMBL28888487 0.73 HTT (0.40) SRCKCNN4ELANETSHRMAOA
SCHEMBL12174503 0.73 TSHR (0.52) SRCTSHRMAOAMAOBKMT2A
SCHEMBL5800169 0.72 MAOA (0.43) TSHRMAOAMAOBKMT2APOLB

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-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-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