SCHEMBL6927646

SCHEMBL6927646

CCCCCCCCCCCCCC(Br)C(Cl)C(CC(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
ALOX5 P09917 1/20 0.37
MMP2 P08253 5/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
OXER1 Q8TDS5 2/20 0.36
GPR84 Q9NQS5 4/20 0.35
MMP1 P03956 2/20 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
SCHEMBL20377512 1.00 CCKBR (0.40) CCKBRDRD2DRD3ALOX5MMP2
SCHEMBL6258111 0.99 CCKBR (0.41) CCKBRDRD2DRD3ALOX5MMP2
SCHEMBL6261180 0.96 DRD2 (0.40) CCKBRDRD2DRD3ALOX5MMP2
SCHEMBL1399700 0.91 DRD2 (0.44) CCKBRDRD2DRD3ALOX5GAA
SCHEMBL16862663 0.83 ALOX5 (0.38) CCKBRDRD2DRD3ALOX5GAA
SCHEMBL16862671 0.83 ALOX5 (0.38) CCKBRDRD2DRD3ALOX5GAA
SCHEMBL1121804 0.78 DRD2 (0.46) CCKBRDRD2DRD3ALOX5GAA
SCHEMBL19182733 0.78 DRD2 (0.46) CCKBRDRD2DRD3ALOX5GAA
SCHEMBL16862658 0.77 OXER1 (0.44) MMP2MMP9MMP12OXER1
SCHEMBL20377513 0.77 GPR84 (0.47) MMP2GAAMMP9GPR84MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952847-A4 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN INC (US) 2003-09-03 EP disclosed
US-6218167-B1 NUCLEIC ACID SEQUENCE ENCODING ESTERASE ENZYMES CHARACTERIZED BY THE ABILITY TO REMAIN STABLE AT CERTAIN TEMPERATURES, SUBSTRATE SPECIFICITIES, AND ACTIVITY PROFILE; CELLS TRANSFORMED WITH NUCLEIC ACID THERMOGEN, INC. 2001-04-17 US disclosed
US-6218163-B1 PURIFIED ESTERASE ISOLATED FROM THERMUS, BACILLUS, OR ACTINOMYCES; RESOLUTION OF RACEMIC MIXTURES/DRUGS THERMOGEN, INC. 2001-04-17 US disclosed
EP-1005556-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS Thermogen, Inc. (US) 2000-06-07 EP disclosed
EP-0952847-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS Thermogen, Inc. (US) 1999-11-03 EP disclosed
US-5969121-A NUCLEIC ACID SEQUENCE THAT ENCODES ESTERASE PROTEIN FOR COMMERCIAL USE THERMOGEN, INC. (US) 1999-10-19 US disclosed
WO-1998046770-A9 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS 1999-03-18 WO disclosed
WO-1998046770-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1998-10-22 WO disclosed
WO-1997025058-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1997-07-17 WO disclosed