SCHEMBL16629284

SCHEMBL16629284

CN(C(=O)OC(C)(C)C)c1cc(C(=O)O)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.49
SORT1 Q99523 4/20 0.49
KDM4E B2RXH2 3/20 0.49
BRD4 O60885 1/20 0.36
USP30 Q70CQ3 1/20 0.35
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
PAX8 Q06710 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TTK P33981 1/20 0.31
PKM P14618 1/20 0.30
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16629273 0.87 BRD4 (0.35) GRNSORT1KDM4EBRD4HTR2C
SCHEMBL29664520 0.81 BRD4 (0.36) GRNSORT1KDM4EBRD4HTR2C
SCHEMBL16629289 0.79 BRD4 (0.31) BRD4
SCHEMBL16629274 0.78 BRD4 (0.34) KDM4EBRD4HTR2CSLC6A4PAX8
SCHEMBL18019577 0.75 BRD4 (0.35) BRD4USP30PAX8TTKKAT6A
SCHEMBL23627798 0.72 BRD4 (0.46) GRNSORT1KDM4EBRD4HTR2C
SCHEMBL22445393 0.72 CNR2 (0.32) BRD4HTR2CSLC6A4
SCHEMBL16629271 0.72 BRD4 (0.38) KDM4EBRD4HTR2CSLC6A4PAX8
SCHEMBL16629255 0.70 KDM4E (0.50) GRNSORT1KDM4EBRD4CA1
SCHEMBL21872232 0.70 BRD4 (0.36) GRNSORT1KDM4EBRD4HTR2C

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
WO-2015050989-A2 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES CS THERAPEUTICS INC. (US) 2015-04-09 WO disclosed