SCHEMBL5059015

SCHEMBL5059015

C=C(C)C(=O)NC(C)(C)CCP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
BTN3A1 O00481 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 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
SCHEMBL813616 0.90 GRM4 (0.36) GRM4ALDH1A1
SCHEMBL41615 0.81 TGFBR1 (0.32) TGFBR1
SCHEMBL8210939 0.77 TGFBR1 (0.37) ALDH1A1TGFBR1
SCHEMBL3422991 0.77 ALDH1A1 (0.34) ALDH1A1TGFBR1
SCHEMBL6462038 0.77 ALDH1A1 (0.34) ALDH1A1TGFBR1
SCHEMBL6232119 0.77 ALDH1A1 (0.52) ALDH1A1TGFBR1
SCHEMBL472257 0.77
SCHEMBL19881205 0.76 ALDH1A1 (0.37) ALDH1A1TGFBR1
SCHEMBL288412 0.75 TPI1 (0.33) BTN3A1ALDH1A1TGFBR1
SCHEMBL5057255 0.75 MEN1 (0.48) GRM4BTN3A1ALDH1A1

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed