SCHEMBL7153174

SCHEMBL7153174

CCOC(=O)C(Cc1ccc2ccccc2c1Br)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NCEH1 Q6PIU2 4/20 0.48
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MMP8 P22894 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CDC25B P30305 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTNNB1 P35222 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7061781 0.83 PRNP (0.42) NPC1MAPTRAB9ASMN1; SMN2NCEH1
SCHEMBL6719502 0.82 CTNNB1 (0.59) MMP8ALDH1A1HPGDCDC25BKDM4E
SCHEMBL9849115 0.82 ALDH1A1 (0.43) NPC1MAPTRAB9ASMN1; SMN2NCEH1
SCHEMBL6655998 0.80 ALDH1A1 (0.53) NPC1MAPTRAB9ASMN1; SMN2NCEH1
SCHEMBL7322093 0.77 CTNNB1 (0.60) MMP8ALDH1A1HPGDCDC25BKDM4E
SCHEMBL9849196 0.77 PRNP (0.45) NPC1MAPTRAB9ASMN1; SMN2NCEH1
SCHEMBL9849200 0.77 NCEH1 (0.52) NPC1MAPTRAB9ASMN1; SMN2NCEH1
SCHEMBL19502670 0.77 MMP8 (0.54) NPC1SMN1; SMN2MMP8ALDH1A1KMT2A
SCHEMBL2386210 0.76 MMP8 (0.51) NPC1MAPTRAB9ASMN1; SMN2MMP8
SCHEMBL6589138 0.76 CTNNB1 (0.55) MMP8ALDH1A1HPGDCDC25BKDM4E

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
US-6534627-B1 Using FMOC (9-fluorenylmethyloxycarbonyl) and tert-butyl containing compounds as protecting group; efficiency and storage stability RESEARCH CORPORATION TECNOLOGIES, INC. 2003-03-18 US disclosed
US-6040422-A REACTING A FLUOROFORMAMIDINIUM SALT WITH AN N-AMINO PROTECTED, OPTIONALLY SIDE CHAIN PROTECTED AMINO ACID; THEN REACTING PRODUCT WITH A CARBOXY PROTECTED AMINO ACID; FOR COMPOUNDS WITH LONG TERM STORAGE STABILITY RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-03-21 US disclosed
US-5750767-A REACTING PROTECTED AMINO ACID WITH FLUOROFORMAMIDINIUM SALT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-05-12 US disclosed
US-5712418-A FLUOROFORMAMIDINIUM SALTS AS FLUORINATION AGENTS TO FORM PEPTIDES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-01-27 US disclosed
WO-1996004297-A9 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1996-05-02 WO disclosed
WO-1996004297-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-02-15 WO disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 US disclosed
WO-1991005564-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-05-02 WO disclosed