SCHEMBL4970959

SCHEMBL4970959

CCCOc1cc(C)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
DAO P14920 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
ESR1 P03372 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL10414226 0.86 NR5A1 (0.39) MAPTALDH1A1ESR1TP53GAA
SCHEMBL9453080 0.86 NR5A1 (0.39) MAPTALDH1A1ESR1TP53GAA
SCHEMBL15352943 0.82
SCHEMBL8100989 0.81 TAAR1 (0.34) DAOKDM4ELTA4H
SCHEMBL8560585 0.81 LTA4H (0.37) ELANEMAPTALDH1A1KMT2AMEN1
SCHEMBL10461427 0.81 DAO (0.32) DAOMAPTALDH1A1KMT2AMEN1
SCHEMBL29264547 0.79 KDM4E (0.33) DAOALDH1A1KDM4E
SCHEMBL5929470 0.75 KCNA3 (0.47) MAPTALDH1A1LTA4HRAB9A
SCHEMBL10637851 0.75 L3MBTL1 (0.51) DAOKMT2AMEN1LMNA
Bromide SCHEMBL28753001 0.75 MEN1 (0.33) KMT2AMEN1KDM4ERAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008121669-A1 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER, ITS REGIO-SPECIFIC SYNTHESIS AND INTERMEDIATE THERETO SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
CN-114437055-B Fluorescent probe for continuously detecting copper ions and homocysteine as well as preparation method and application thereof 天津理工大学 2023-09-22 CN disclosed
CN-111138639-B pH response type conjugated polymer nano particle and preparation method and application thereof 天津理工大学 2022-04-29 CN disclosed
CN-108663346-B L-cysteine fluorescent probe based on conjugated polymer/metal ion compound, and preparation method and application thereof 天津理工大学 2020-09-29 CN disclosed
CN-111138639-A pH response type conjugated polymer nano particle and preparation method and application thereof 天津理工大学 2020-05-12 CN disclosed
WO-2008121669-A1 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER, ITS REGIO-SPECIFIC SYNTHESIS AND INTERMEDIATE THERETO SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
WO-2008121666-A1 USE OF 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER FOR PREPARING THE TRYPTASE INHIBITOR [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
WO-2008121666-A1 USE OF 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER FOR PREPARING THE TRYPTASE INHIBITOR [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
WO-2008121669-A1 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER, ITS REGIO-SPECIFIC SYNTHESIS AND INTERMEDIATE THERETO SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
WO-2008121669-A1 4-BROMO-3-METHYL-5-PROPOXYTHIOPHENE-2-CARBOXYLIC ACID 2,5-DIOXO-PYRROLIDIN-1-YL ESTER, ITS REGIO-SPECIFIC SYNTHESIS AND INTERMEDIATE THERETO SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed