SCHEMBL3423786

SCHEMBL3423786

C=CC(=O)Oc1c(O)cccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.33
NAMPT P43490 1/20 0.33
TYMS P04818 1/20 0.33
CXCR2 P25025 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SOS2 Q07890 1/20 0.32
THRA P10827 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31
AR P10275 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TYR P14679 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4070955 0.83 KMT2A (0.36) THRBSMN1; SMN2GAAALDH1A1TSHR
SCHEMBL1245242 0.83 TSHR (0.42) THRBNAMPTTHRAMAPK1SMN1; SMN2
SCHEMBL8070513 0.83 THRB (0.41) THRBTYMSCA1CA2THRA
SCHEMBL8145380 0.81 SMN1; SMN2 (0.41) THRBCA1CA2THRAMAPK1
SCHEMBL15498947 0.77 ELANE (0.38) THRBNAMPTCXCR2CA1CA2
SCHEMBL29067250 0.76 THRB (0.31) THRBCXCR2GAA
SCHEMBL588390 0.76 SMN1; SMN2 (0.46) THRBTYMSTHRAMAPK1SMN1; SMN2
SCHEMBL6658293 0.76 KMT2A (0.40) THRBTYMSCA1CA2THRA
SCHEMBL28065492 0.75 THRB (0.40) THRBTYMSTHRAMAPK1SMN1; SMN2
SCHEMBL19335394 0.75 NAMPT (0.41) NAMPTCA1CA2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851929-B Ce6 derivative, nano preparation thereof, and preparation method and application thereof 山东大学 2022-02-11 CN disclosed
CN-112851929-A Ce6 derivative, nano preparation thereof, and preparation method and application thereof 山东大学 2021-05-28 CN disclosed
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