SCHEMBL28116752

SCHEMBL28116752

NCC(N)(OCCO)OCCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL565764 0.76 ALDH1A1 (0.38) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL11289682 0.74 TSHR (0.35) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10725722 0.74 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL6428112 0.73 TSHR (0.39) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL8465970 0.73 TSHR (0.39) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL565548 0.72 TSHR (0.36) TSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9219890 0.71 TSHR (0.37) TSHRMAPK1MEN1KMT2AALDH1A1
Water SCHEMBL11566367 0.71 TSHR (0.37) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL9016146 0.70 MAPT (0.31)
SCHEMBL115712 0.70

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
CN-106232783-A Emulsifier component and using method thereof 路博润公司 2016-12-14 CN disclosed