SCHEMBL18829972

SCHEMBL18829972

CCc1cc(N)c(C)c(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 8/20 0.58
GAA P10253 8/20 0.58
HSD17B10 Q99714 4/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.58
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 3/20 0.44
ABL1 P00519 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 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
SCHEMBL5629366 0.80 KDM4E (0.63) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL6824936 0.80 KDM4E (0.50) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL18829858 0.79 CA12 (0.50) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL31615975 0.78 KDM4E (0.52) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL12499964 0.77 KDM4E (0.47) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL2387646 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL3575890 0.77 KDM4E (0.47) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL20334144 0.77 KDM4E (0.47) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL221403 0.77 ALDH1A1 (0.81) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL13280597 0.77 KDM4E (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed