SCHEMBL20006708

SCHEMBL20006708

C=C(C)C(=O)OCC(O)CNCCCC[C@H](NC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
FOLH1 Q04609 1/20 0.32
ABCB1 P08183 2/20 0.32
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
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
SCHEMBL19987935 0.84 TSHR (0.39) TSHR
SCHEMBL21300657 0.79 TSHR (0.51) TSHR
SCHEMBL16600063 0.79 TSHR (0.51) TSHR
SCHEMBL16599972 0.79 TSHR (0.51) TSHR
SCHEMBL21133101 0.79 TSHR (0.39) TSHRABCB1
SCHEMBL8423288 0.79 TSHR (0.46) TSHR
SCHEMBL22016787 0.78 TSHR (0.45) TSHRADRB2ADRB1ADRB3
SCHEMBL27054834 0.77 TSHR (0.47) TSHRADRB2ADRB1ADRB3
SCHEMBL21300693 0.77 TSHR (0.42) TSHRADRB2ADRB1ADRB3
SCHEMBL19987934 0.77 TSHR (0.39) TSHRFOLH1ADRB2ADRB1ADRB3

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
EP-3299400-A1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID Rohm and Haas Company (US) 2018-03-28 EP disclosed