SCHEMBL28348683

SCHEMBL28348683

COC(=O)CC(NC(=O)C(C)Br)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.41
ECE1 P42892 2/20 0.41
ACE P12821 1/20 0.41
TGFBR1 P36897 2/20 0.37
MMP1 P03956 2/20 0.35
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL6504674 0.85 ACE (0.43) MMEECE1ACETGFBR1MMP1
SCHEMBL25491158 0.82 ECE1 (0.44) MMEECE1ACETGFBR1MMP1
Hydrochloric Acid SCHEMBL31285077 0.81 ECE1 (0.43) MMEECE1ACETGFBR1MMP1
Hydrochloric Acid SCHEMBL25209808 0.81 ECE1 (0.43) MMEECE1ACETGFBR1MMP1
Hydrochloric Acid SCHEMBL25209810 0.81 ECE1 (0.43) MMEECE1ACETGFBR1MMP1
SCHEMBL10866495 0.80 ECE1 (0.61) MMEECE1ACEALDH1A1MEN1
SCHEMBL31221834 0.78 ECE1 (0.41) MMEECE1ACETGFBR1MMP1
SCHEMBL22043405 0.77 MAPT (0.55) MMETGFBR1ALDH1A1
SCHEMBL3420387 0.77 MAPT (0.55) MMETGFBR1ALDH1A1
SCHEMBL13933952 0.76 TGFBR1 (0.40) MMEECE1TGFBR1FOLH1NAALAD2

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
CN-111087613-B Activity-controllable anticoagulant degradable high polymer material and synthesis method thereof 西北师范大学 2022-06-14 CN disclosed
CN-110713596-B PH-reduction dual-response polymer embolic agent for tumor ductless embolization and synthesis thereof 西北师范大学 2022-04-29 CN disclosed
CN-110743014-B PH response polymer coated inorganic nano-particle embolic agent for tumor catheter-free embolization and thermotherapy and preparation thereof 西北师范大学 2022-01-18 CN disclosed
CN-112190752-A Multifunctional polymer composite material for tumor embolism and preparation method thereof 西北师范大学 2021-01-08 CN disclosed
CN-111087613-A Activity-controllable anticoagulant degradable high polymer material and synthesis method thereof 西北师范大学 2020-05-01 CN disclosed
CN-110743014-A PH response polymer coated inorganic nano-particle embolic agent for tumor catheter-free embolization and thermotherapy and preparation thereof 西北师范大学 2020-02-04 CN disclosed
CN-110713596-A PH-reduction dual-response polymer embolic agent for tumor ductless embolization and synthesis thereof 西北师范大学 2020-01-21 CN disclosed