SCHEMBL5590883

SCHEMBL5590883

CC(C)(C)CC(=O)OO.CC(C)(C)c1ccccc1C(=O)OO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.36
MIF P14174 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NAMPT P43490 1/20 0.35
RBP4 P02753 1/20 0.34
ELANE P08246 1/20 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
SCHEMBL14976 0.87 MAPT (0.44) MAPTPOLBALDH1A1KDM4EGAA
SCHEMBL29448528 0.87 MAPT (0.44) MAPTPOLBALDH1A1KDM4EGAA
SCHEMBL30949796 0.85 MAPT (0.43) MAPTPOLBALDH1A1KDM4EGAA
Hydrogen Peroxide SCHEMBL8974942 0.85 TDP1 (0.46) MAPTPOLBALDH1A1KDM4EGAA
Acetic Acid SCHEMBL28044565 0.82 TDP1 (0.44) MAPTPOLBALDH1A1KDM4EGAA
Pivalate SCHEMBL28089548 0.81 TDP1 (0.43) MAPTPOLBALDH1A1KDM4EGAA
SCHEMBL9021105 0.81 ALDH1A1 (0.43) MAPTPOLBALDH1A1KDM4EGAA
Benzoic Acid SCHEMBL27514337 0.78 RXRA (0.51) MAPTPOLBALDH1A1KDM4EGAA
Benzoyl Peroxide SCHEMBL11074559 0.77 LMNA (0.53) MAPTPOLBALDH1A1KDM4EGAA
SCHEMBL1679222 0.77 MAPT (0.41) MAPTPOLBALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767578-B1 THERMOPLASTIC RESIN COMPOSITION DSM IP ASSETS BV (NL) 2013-11-06 EP disclosed
US-20070117901-A1 Thermoplastic resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2007-05-24 US disclosed
EP-1767578-A1 THERMOPLASTIC RESIN COMPOSITION Mitsubishi Engineering-Plastics Corporation (JP) 2007-03-28 EP disclosed