SCHEMBL4411446

SCHEMBL4411446

C=C(C)C(=O)NC(=O)[C@@H](N)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
SLC15A1 P46059 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
GLS O94925 1/20 0.32
FUCA1 P04066 1/20 0.31
ESR2 Q92731 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NPY1R P25929 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRD1 P41143 1/20 0.31
MTOR P42345 1/20 0.31
HK2 P52789 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2954073 0.81 CA12 (0.35) TGFBR1SLC15A1TDP1
SCHEMBL21847970 0.81 CA12 (0.35) TGFBR1SLC15A1TDP1
SCHEMBL29616775 0.79 CRBN (0.40) SLC15A1SPHK1TDP1GLSFUCA1
SCHEMBL11888829 0.79 CRBN (0.40) SLC15A1SPHK1TDP1GLSFUCA1
SCHEMBL6563762 0.78 SLC15A1 (0.45) SLC15A1
SCHEMBL4414228 0.78 DPP4 (0.49) TGFBR1SLC15A1MEN1LMNAMAPT
SCHEMBL2969796 0.78 DPP4 (0.49) TGFBR1SLC15A1TDP1LMNAPMP22
SCHEMBL27814309 0.78 SLC15A1 (0.43) SLC15A1SPHK1TDP1GLSFUCA1
SCHEMBL5017047 0.77 SLC15A1 (0.41) TGFBR1SLC15A1TDP1KDM4EALDH1A1
SCHEMBL5016309 0.77 GNAI3 (0.49) SLC15A1

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-1581153-A4 BIOCOMPATIBLE HYDROGEL BONE-LIKE COMPOSITES UNIV CALIFORNIA (US) 2009-02-25 EP disclosed
EP-1581153-A2 BIOCOMPATIBLE HYDROGEL BONE-LIKE COMPOSITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-05 EP disclosed
US-20040161444-A1 Biocompatible hydrogel bone-like composites THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-08-19 US disclosed
WO-2004056321-A2 BIOCOMPATIBLE HYDROGEL BONE-LIKE COMPOSITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-07-08 WO disclosed