SCHEMBL2422883

SCHEMBL2422883

CC(C)C(C)(O[C]=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
KCNN4 O15554 1/20 0.33
CYP2B6 P20813 1/20 0.32
RIPK1 Q13546 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL9211076 0.76 CYP1A2 (0.37) CYP2D6CYP1A2CYP2C19HIF1AKMT2A
SCHEMBL131978 0.75 MAPK1 (0.44) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL11661542 0.75 MAPK1 (0.44) CYP2D6CYP1A2MAPK1CYP2C19HIF1A
SCHEMBL135667 0.75 MAPK1 (0.56) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL14841767 0.74 MAPK1 (0.43) CYP2D6CYP1A2MAPK1CYP2C19HIF1A
SCHEMBL6394434 0.72 MAPK1 (0.41) CYP1A2MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL9210109 0.72 CYP2C19 (0.44) CYP1A2MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL28006379 0.71 MAPK1 (0.40) MAPK1CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL183489 0.70 KIF11 (0.40) CYP1A2MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL4675618 0.69 MAPK1 (0.39) MAPK1CYP2C19HIF1AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765910-B2 Method for amidating polypeptides with basic amino acid C-terminals by means of specific endoproteases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-01 US disclosed
EP-1931705-B1 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINOACID C- TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-07 EP disclosed
US-20100311112-A1 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINO ACID C-TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-12-09 US disclosed
EP-1931705-A2 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINOACID C- TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES Sanofi-Aventis Deutschland GmbH (DE) 2008-06-18 EP disclosed
WO-2007036299-A2 METHOD FOR AMIDATING POLYPEPTIDES WITH BASIC AMINOACID C- TERMINALS BY MEANS OF SPECIFIC ENDOPROTEASES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-05 WO disclosed