SCHEMBL7633403

SCHEMBL7633403

COC(=O)C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
EGFR P00533 3/20 0.50
ERBB2 P04626 3/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
CASP3 P42574 1/20 0.46
ATM Q13315 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL10732366 0.90 HTT (0.48) L3MBTL1KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL7973649 0.86 L3MBTL1 (0.49) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL8870180 0.82 FNTA (0.57) KDM4EALDH1A1HTTLMNA
SCHEMBL7642353 0.82 EGFR (0.49) L3MBTL1EGFRERBB2KMT2AALDH1A1
SCHEMBL7641899 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SMN1; SMN2HTT
SCHEMBL7636374 0.81 KMT2A (0.54) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL8215730 0.81 L3MBTL1 (0.51) L3MBTL1KDM4EGLAEGFRERBB2
SCHEMBL7642020 0.81 HTT (0.65) KDM4EEGFRALDH1A1SMN1; SMN2HTT
SCHEMBL7639962 0.81 EGFR (0.50) KDM4EEGFRERBB2KMT2AMEN1
SCHEMBL7635599 0.81 ALDH1A1 (0.57) L3MBTL1EGFRERBB2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023206874-A1 SACUBITRIL INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed
CN-103228668-B Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS (DK) 2016-04-27 CN disclosed
CN-103228668-A Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS 2013-07-31 CN disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
US-4621150-A METAL PERHALATE OR SULFONATE OR COMPLEX; GLYCIDATE, 2-HYDROXY-3-BUTENOATE, EPOXIDE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-11-04 US disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed