SCHEMBL20575447

SCHEMBL20575447

CCC(O)C(C)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.43
TRPA1 O75762 1/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 4/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
Acetic Acid SCHEMBL16666924 0.97 POLB (0.42) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL21961149 0.80 TSHR (0.57) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL1904536 0.80 TSHR (0.57) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL5607279 0.80 LMNA (0.50) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL133469 0.80 ALDH1A1 (0.52) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL13951792 0.78 ALDH1A1 (0.50) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL2955775 0.77 ALDH1A1 (0.54) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL524784 0.77 POLB (0.45) POLBALDH1A1KMT2ATDP1GAA
SCHEMBL254364 0.77 ALDH1A1 (0.59) POLBALDH1A1KMT2ATDP1GAA
Hydrogen Peroxide SCHEMBL9514730 0.77 ALDH1A1 (0.59) POLBALDH1A1KMT2ATDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180344646-A1 AMORPHOUS DISPERSION GRANULES AND ORAL DOSAGE FORMS PATHEON DEVELOPMENT SERVICES INC. (US) 2018-12-06 US claimed