SCHEMBL19987934

SCHEMBL19987934

C=C(C)C(=O)OCC(O)CN[C@@H](CCCCN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
FOLH1 Q04609 1/20 0.38
CPB2 Q96IY4 5/20 0.34
SLC6A5 Q9Y345 1/20 0.34
GSR P00390 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TLR2 O60603 5/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
RNPEP Q9H4A4 1/20 0.33

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
SCHEMBL19987936 0.81 FOLH1 (0.40) TSHRFOLH1CPB2SLC6A5GSR
SCHEMBL20006708 0.77 TSHR (0.38) TSHRFOLH1ADRB2ADRB1ADRB3
SCHEMBL2117551 0.76 FOLH1 (0.49) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL433656 0.76 FOLH1 (0.49) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL30540130 0.76 FOLH1 (0.49) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL433657 0.76 FOLH1 (0.49) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL27054834 0.76 TSHR (0.47) TSHRADRB2ADRB1ADRB3
SCHEMBL9924207 0.76 FOLH1 (0.45) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL4100264 0.75 FOLH1 (0.47) FOLH1CPB2SLC6A5GSRTLR2
SCHEMBL4087629 0.75 FOLH1 (0.47) FOLH1CPB2SLC6A5GSRTLR2

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-3299400-B1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID ROHM & HAAS (US) 2019-06-26 EP disclosed
US-10221309-B2 Latex functionalized with structural units of an amino acid ROHM AND HAAS COMPANY (US) 2019-03-05 US disclosed
US-20180086909-A1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID ROHM AND HAAS COMPANY 2018-03-29 US disclosed
EP-3299400-A1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID Rohm and Haas Company (US) 2018-03-28 EP disclosed