SCHEMBL7153178

SCHEMBL7153178

CCOC(=O)C(C(=O)OCC)C(Br)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 4/20 0.48
CYP2D6 P10635 3/20 0.48
KCNH2 Q12809 3/20 0.48
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
UGT2B7 P16662 1/20 0.44
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MMP9 P14780 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PDPK1 O15530 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
SCHEMBL5860496 0.85 CYP2D6 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6378903 0.81 MMP8 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5878417 0.80 AKR1C3 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL15341770 0.80 AKR1C3 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL7061755 0.80 SMN1; SMN2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL27734602 0.79 AKR1C3 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL657387 0.79 PDPK1 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL17583661 0.78 CYP2D6 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6934374 0.78 CYP2D6 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6366872 0.77 CYP2D6 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 11 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
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1993-05-05 EP disclosed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 EP 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