SCHEMBL29239019

SCHEMBL29239019

CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC(=O)O

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 3/20 0.49
EPHX1 P07099 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL3167773 0.97 MEN1 (0.50) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL1404483 0.92 KMT2A (0.46) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL18429374 0.91 MEN1 (0.45) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL11989400 0.90 TDP1 (0.58) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL29130881 0.89 MAOA (0.48) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL22433669 0.89 TDP1 (0.47) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL13143837 0.89 CA14 (0.43) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL12482641 0.87 TDP1 (0.56) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL7154749 0.87 MEN1 (0.42) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL18362433 0.86 TDP1 (0.49) MEN1GAAKMT2ATDP1EPHX1

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
EP-4695259-A1 TRICYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
WO-2024213610-A1 TRICYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
CN-117750982-A Coupling reagent and conjugate thereof 剑桥实业有限公司 2024-03-22 CN disclosed
WO-2023006782-A1 CONJUGATING REAGENTS AND CONJUGATES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-02-02 WO disclosed