SCHEMBL9865843

SCHEMBL9865843

CC(C)(C)OC(=O)Nc1cc(C(=O)O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.50
HDAC1 Q13547 1/20 0.50
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNMA1 Q12791 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4927166 0.88 KDM5A (0.50) KDM5AHDAC1MAPTHTTKDM4E
SCHEMBL3256083 0.88 NPC1 (0.54) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL2934675 0.87 CA12 (0.54) HDAC1MAPTHTTKDM4EGAA
SCHEMBL17486759 0.85 HDAC1 (0.48) HDAC1HTTKCNMA1KMT2ACYP17A1
SCHEMBL2890796 0.85 MAPT (0.46) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL30779358 0.85 MAPT (0.46) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL2283371 0.85 PPARG (0.51) HDAC1MAPTKDM4EGAAL3MBTL1
SCHEMBL23754439 0.84 PPARG (0.52) HDAC1MAPTHTTKDM4EPOLB
SCHEMBL30955674 0.84 PPARG (0.52) HDAC1MAPTHTTKDM4EPOLB
SCHEMBL14876843 0.84 AAK1 (0.46) HDAC1MAPTHTTKDM4EGAA

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
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed
EP-2968667-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP Assets B.V. (NL) 2016-01-20 EP disclosed
WO-2014158288-A1 PEG-BASED ADHESIVE PHENYLIC DERIVATIVES AND METHODS OF SYNTHESIS AND USE DSM IP ASSETS B.V. (NL) 2014-10-02 WO disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed