SCHEMBL4577108

SCHEMBL4577108

C=CC(=O)OC(CCCO)=C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL4577024 0.83 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5071879 0.80 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20423629 0.78 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10325239 0.77 TSHR (0.38) TSHRHPGDSMN1; SMN2
SCHEMBL2144022 0.77 TSHR (0.40) TSHRCAMK2AALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11341500 0.74 CAMK2A (0.41) TSHRCAMK2AALDH1A1
SCHEMBL28775510 0.74 TSHR (0.34) TSHRHPGDALDH1A1
SCHEMBL20210990 0.73 TSHR (0.38) TSHRHPGD
SCHEMBL486886 0.73 TSHR (0.38) TSHRHPGD
SCHEMBL28909748 0.72 TSHR (0.45) TSHRHPGDCAMK2AALDH1A1CYP3A4

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
EP-1807699-B1 STRUCTURED COPOLYMER SUPPORTS FOR USE IN SPECTROMETRY OR SPECTROSCOPY MAX PLANCK GESELLSCHAFT (DE) 2008-12-31 EP disclosed
US-20080073511-A1 Structured Copolymer Supports for Use in Mass Spectrometry MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (US) 2008-03-27 US disclosed
EP-1807699-A1 STRUCTURED COPOLYMER SUPPORTS FOR USE IN MASS SPECTROMETRY MPG Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-07-18 EP disclosed
WO-2006048306-A1 STRUCTURED COPOLYMER SUPPORTS FOR USE IN MASS SPECTROMETRY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-05-11 WO disclosed