SCHEMBL2470423

SCHEMBL2470423

COC(=O)c1cc(OCCCS(=O)(=O)O)cc(C(=O)OC)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
PLA2G2A P14555 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 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
SCHEMBL10661666 0.98 MAPT (0.47) MAPTPLA2G2ARAB9AATMCA12
SCHEMBL11680927 0.85 MAPT (0.68) MAPTRAB9ACA1CA2KDM4E
SCHEMBL8959016 0.84 PLA2G2A (0.54) MAPTPLA2G2ARAB9AKDM4ELMNA
SCHEMBL2470436 0.84 MAPT (0.45) MAPTPLA2G2ARAB9AATMCA12
SCHEMBL11682941 0.83 MAPT (0.70) MAPTRAB9ACA1CA2KDM4E
SCHEMBL340217 0.82 PLA2G2A (0.56) MAPTPLA2G2ARAB9AKDM4ELMNA
SCHEMBL724879 0.81 MAPT (0.38) MAPTPLA2G2ARAB9AKDM4ELMNA
SCHEMBL29294212 0.80 PLA2G2A (0.49) MAPTPLA2G2ARAB9AKDM4ELMNA
SCHEMBL18876765 0.79 PLA2G2A (0.60) MAPTPLA2G2ARAB9AKDM4ELMNA
SCHEMBL89250 0.79 MAPT (0.53) MAPTPLA2G2ARAB9AATMCA12

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 4 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
US-6872451-B2 Ionomeric oxygen scavenger compositions CRYOVAC, INC. (US) 2005-03-29 US disclosed
US-20050048286-A1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC, INC. 2005-03-03 US disclosed
US-4150216-A Hair-treating agents from branched, sulfo-group containing copolyesters HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed