SCHEMBL7202524

SCHEMBL7202524

C=C(C)C(=O)N[N+](CCC)(NC(=O)C(=C)C)NC(=O)C(=C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TSHR P16473 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL6845645 0.98 TSHR (0.33) TGFBR1ALDH1A1TSHR
SCHEMBL34095 0.81 TGFBR1 (0.33) TGFBR1ALDH1A1
Hydrochloric Acid SCHEMBL7945238 0.79 TSHR (0.32) TGFBR1ALDH1A1TSHR
SCHEMBL9651437 0.79 TGFBR1 (0.32) TGFBR1
SCHEMBL9470604 0.73 TGFBR1 (0.36) TGFBR1ALDH1A1
SCHEMBL3776845 0.71 TGFBR1 (0.35) TGFBR1ALDH1A1
SCHEMBL6222153 0.71 TSHR (0.41) TSHR
SCHEMBL2773074 0.71 TSHR (0.41) TSHR
SCHEMBL9188552 0.70 ALDH1A1 (0.31) TGFBR1ALDH1A1
Hydrochloric Acid SCHEMBL4102058 0.70 TSHR (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593460-B1 Biodegradable lignin graft polymers with ethenically unsaturated monomers made using an oxidoreductase enzyme such as laccase and organic peroxides; use as aqueous absorbers, flocculants, thickeners, water softeners and dispersants STOCKHAUSEN GMBH & CO KG (DE) 2003-07-15 US disclosed