SCHEMBL7589287

SCHEMBL7589287

CC(C)(C)OC(=O)c1cccc(Br)c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
GRM6 O15303 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
AR P10275 1/20 0.35
SLC7A5 Q01650 1/20 0.35
HPGD P15428 2/20 0.34
MIF P14174 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
Ethane SCHEMBL4640473 0.89 MEN1 (0.43) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL4628669 0.88 TSHR (0.51) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL6577373 0.87 GRM6 (0.43) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL29287831 0.84 KMT2A (0.47) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL488979 0.84 KMT2A (0.56) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL4627542 0.83 TSHR (0.56) KDM4EALDH1A1POLB
SCHEMBL16056668 0.83 GRM6 (0.41) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL486746 0.83 KMT2A (0.46) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL4640468 0.82 ALDH1A1 (0.35) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL17828206 0.81 MEN1 (0.44) KMT2AMEN1NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104281-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2023-04-06 US disclosed
EP-4103652-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-12-21 EP disclosed
WO-2021160732-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-08-19 WO disclosed
EP-3865544-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-08-18 EP disclosed
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed