SCHEMBL19987937

SCHEMBL19987937

C=C(C)C(=O)OCCNCCCC[C@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.40
NOS1 P29475 4/20 0.40
TSHR P16473 3/20 0.40
NOS3 P29474 3/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ARG2 P78540 4/20 0.37
ARG1 P05089 3/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL10187385 0.84 TSHR (0.51) NOS2NOS1TSHRNOS3GSR
SCHEMBL21133322 0.83 TSHR (0.40) TSHRTHRB
SCHEMBL19987935 0.82 TSHR (0.39) NOS2NOS1TSHRNOS3GSR
SCHEMBL10187387 0.80 THRB (0.47) NOS2NOS1TSHRNOS3GSR
SCHEMBL9321905 0.78 THRB (0.55) TSHRTHRB
SCHEMBL29485083 0.78 GSR (0.61) NOS2NOS1TSHRNOS3GSR
SCHEMBL11520523 0.78 TSHR (0.49) TSHRTHRB
SCHEMBL20537360 0.78 TSHR (0.49) TSHRCYP1A2MEN1CYP2C19KMT2A
SCHEMBL28486277 0.78 GSR (0.46) NOS2NOS1TSHRNOS3GSR
SCHEMBL30962453 0.78 NOD1 (0.39) TSHRGSRCYP1A2BLMKMT2A

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 10 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
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
EP-3299400-A1 LATEX FUNCTIONALIZED WITH STRUCTURAL UNITS OF AN AMINO ACID Rohm and Haas Company (US) 2018-03-28 EP disclosed