SCHEMBL19987935

SCHEMBL19987935

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
NOS2 P35228 5/20 0.37
NOS1 P29475 4/20 0.37
NOS3 P29474 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GSR P00390 1/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ARG2 P78540 4/20 0.34
ARG1 P05089 3/20 0.34

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
SCHEMBL21133101 0.85 TSHR (0.39) TSHRCYP3A4
SCHEMBL20006708 0.84 TSHR (0.38) TSHR
SCHEMBL19987937 0.82 NOS2 (0.40) TSHRNOS2NOS1NOS3CYP1A2
SCHEMBL27054834 0.81 TSHR (0.47) TSHR
SCHEMBL16600063 0.80 TSHR (0.51) TSHRMEN1KMT2A
SCHEMBL21300657 0.80 TSHR (0.51) TSHRMEN1KMT2A
SCHEMBL16599972 0.80 TSHR (0.51) TSHRMEN1KMT2A
SCHEMBL8423288 0.80 TSHR (0.46) TSHRMEN1KMT2A
SCHEMBL22016787 0.79 TSHR (0.45) TSHR
SCHEMBL21300693 0.78 TSHR (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107868185-B Functionalized latexes of amino acid building blocks 罗门哈斯公司 2022-02-25 CN disclosed
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-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
US-20180086909-A1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID ROHM AND HAAS COMPANY 2018-03-29 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