SCHEMBL2470422

SCHEMBL2470422

Cc1cc(C(=O)O)c(C(=O)O)c(S(=O)(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
FABP4 P15090 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
GAA P10253 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
CYP3A4 P08684 2/20 0.35
ACHE P22303 1/20 0.35
NOTUM Q6P988 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL985182 0.86 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL270432 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9246637 0.84 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL3912717 0.84 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL758181 0.84 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL271087 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL16425819 0.81 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL27772745 0.81 PHLPP2 (0.39) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL10663487 0.77 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL14989265 0.77 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMEN1

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
EP-1664152-B1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC INC (US) 2011-10-05 EP disclosed
EP-1664152-A2 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS Cryovac, Inc. (US) 2006-06-07 EP disclosed
US-6872451-B2 Ionomeric oxygen scavenger compositions CRYOVAC, INC. (US) 2005-03-29 US disclosed
WO-2005023674-A2 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC, INC. (US) 2005-03-17 WO disclosed
US-20050048286-A1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC, INC. 2005-03-03 US disclosed