SCHEMBL3426674

SCHEMBL3426674

C=CC(=O)Oc1c(C#N)cccc1OC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
AR P10275 5/20 0.33
ALDH1A1 P00352 4/20 0.33
THRB P10828 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.33
THRA P10827 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 1/20 0.33
TSHR P16473 3/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL8145380 0.82 SMN1; SMN2 (0.41) ARALDH1A1THRBSMN1; SMN2KDM4E
SCHEMBL9707104 0.79 THRB (0.47) ELANEALDH1A1THRBKDM4ETHRA
SCHEMBL1245242 0.76 TSHR (0.42) ARALDH1A1THRBSMN1; SMN2KDM4E
SCHEMBL3423786 0.74 THRB (0.33) ARALDH1A1THRBSMN1; SMN2MAPK1
SCHEMBL28020073 0.74 SMN1; SMN2 (0.47) ARALDH1A1THRBSMN1; SMN2KDM4E
SCHEMBL2221010 0.73 ELANE (0.49) ELANEALDH1A1KDM4EMAPK1HPGD
SCHEMBL4070955 0.73 KMT2A (0.36) ALDH1A1THRBSMN1; SMN2KDM4ETP53
SCHEMBL588390 0.72 SMN1; SMN2 (0.46) ALDH1A1THRBSMN1; SMN2KDM4ETP53
SCHEMBL16958507 0.72 ELANE (0.37) ELANE
SCHEMBL28065492 0.72 THRB (0.40) ALDH1A1THRBSMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700306-B2 characterising a polypeptide by matrix assisted laser desorption ionization (MALDI) mass spectrometry; improving sensitivity, and can increase the number of peptides that are detected from a protein ELECTROPHORETICS LIMITED (GB) 2010-04-20 US disclosed
US-20060040334-A1 Method for characterising analytes XZILLION GMBH & CO. KG (DE) 2006-02-23 US disclosed
EP-1490693-A1 METHOD FOR CHARACTERISING ANALYTES Xzillion GmbH & CO.KG (DE) 2004-12-29 EP disclosed
WO-2003087839-A1 METHOD FOR CHARACTERISING ANALYTES XZILLION GMBH & CO. KG (DE) 2003-10-23 WO disclosed