SCHEMBL7799794

SCHEMBL7799794

CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(CCCC(=O)O)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
LMNA P02545 2/20 0.60
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
FAAH O00519 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8838995 1.00 CYP2C19 (0.62) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL8749863 0.96 CYP2C19 (0.61) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL9622341 0.96 CYP2C19 (0.61) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL7045940 0.96 CYP2C19 (0.61) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL9507072 0.92 CYP2C19 (0.65) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL7776762 0.86 CYP2C19 (0.62) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL7775183 0.85 CYP2C19 (0.51) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL11529161 0.84 CYP2C19 (0.68) CYP2C19LMNAKMT2AMEN1TSHR
SCHEMBL7773269 0.84 CYP2C19 (0.50) CYP2C19LMNAKMT2ATSHRCYP1A2
SCHEMBL9621846 0.83 CYP2C19 (0.55) CYP2C19LMNAKMT2AMEN1MMP2

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
CN-116179496-B Hybridoma cell strain secreting anti-phenobarbital monoclonal antibody and application thereof 江南大学 2024-01-26 CN disclosed
CN-116179496-A Hybridoma cell strain secreting anti-phenobarbital drug monoclonal multi-residue antibody and application thereof 江南大学 2023-05-30 CN disclosed
EP-0429611-B1 AMINOALKYL MALEIMIDES AND HAPTENE AND ANTIGEN DERIVATIVES THEREOF AND CONJUGATES WITH PEPTIDES OR PROTEINS ROCHE DIAGNOSTICS GMBH (DE) 2001-02-28 EP disclosed
US-5595741-A Aminoalkylmaleimides and hapten and antigen derivatives derived therefrom as well as conjugates with peptides or proteins BOEHRINGER MANNHEIM GMBH (DE) 1997-01-21 US disclosed
US-5304645-A Colored or fluorescent labels BOEHRINGER MANNHEIM GMBH (DE) 1994-04-19 US disclosed
EP-0429611-A1 AMINOALKYL MALEIMIDES AND HAPTENE AND ANTIGEN DERIVATIVES THEREOF AND CONJUGATES WITH PEPTIDES OR PROTEINS Roche Diagnostics GmbH (DE) 1991-06-05 EP disclosed
WO-1990015798-A1 AMINOALKYL MALEIMIDES AND HAPTENE AND ANTIGEN DERIVATIVES THEREOF AND CONJUGATES WITH PEPTIDES OR PROTEINS BOEHRINGER MANNHEIM GMBH (DE) 1990-12-27 WO disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed