SCHEMBL28630946

SCHEMBL28630946

CC(C)(C)OC(=O)NCCCC(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 1/20 0.48
DRD2 P14416 5/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.44
IDO1 P14902 2/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL10318009 0.94 KDM4E (0.46) MEN1GAAKMT2ATDP1BRD4
SCHEMBL4597974 0.86 CTSL (0.47) CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL16690784 0.86 CTSL (0.47) CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL10319930 0.86 CTSL (0.47) CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL25496760 0.85 MEN1 (0.50) MEN1GAAKMT2ATDP1BRD4
SCHEMBL3649756 0.85 GAA (0.55) MEN1GAAKMT2ATDP1BRD4
SCHEMBL25496756 0.85 GAA (0.55) MEN1GAAKMT2ATDP1BRD4
SCHEMBL6494079 0.84 MEN1 (0.61) MEN1GAAKMT2ATDP1DRD2
SCHEMBL6491658 0.84 MEN1 (0.61) MEN1GAAKMT2ATDP1DRD2
SCHEMBL6500581 0.84 MEN1 (0.61) MEN1GAAKMT2ATDP1DRD2

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
CN-106999479-B Heteroaryl compounds useful as inhibitors of SUMO activating enzyme 米伦纽姆医药公司 2021-07-16 CN disclosed