SCHEMBL3428085

SCHEMBL3428085

CC(=O)N(C#N)CCCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL7620138 0.86 ZDHHC20 (0.31)
SCHEMBL28451419 0.81 ZDHHC20 (0.44) TSHRGPR84PPARGPPARDPPARA
SCHEMBL10881427 0.81 ZDHHC20 (0.44) TSHRGPR84PPARGPPARDPPARA
SCHEMBL513833 0.75 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL10499255 0.74 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1200063 0.74 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
Water SCHEMBL11318112 0.71 KDM4A (0.66) TSHRLMNANFKB1PMP22GPR84
Water SCHEMBL11562837 0.71 KDM4A (0.66) TSHRLMNANFKB1PMP22GPR84
Water SCHEMBL11662612 0.71 KDM4A (0.66) TSHRLMNANFKB1PMP22GPR84
SCHEMBL11709128 0.71 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84

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 2 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