SCHEMBL5133033

SCHEMBL5133033

C=CC(=O)N(C(C)CO)C(C)CO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL429457 0.82 TSHR (0.42) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL157071 0.80 TSHR (0.39) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10408032 0.80 CHRNB2 (0.34) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL20210992 0.80 CHRNB2 (0.34) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL15841446 0.78 TSHR (0.38) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL8071175 0.74 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL1041496 0.73 TSHR (0.37) TSHRALDH1A1
SCHEMBL14877118 0.73 CHRNB2 (0.39) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL9004343 0.70 TSHR (0.34) TSHRALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL8619506 0.70 TSHR (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449862-B1 Cationic thickeners, process for their preparation and compositions containing them SEPPIC SA (FR) 2008-12-17 EP disclosed
WO-2004067732-A2 POLYMER CARRIERS WITH BONDED SACCHARIDES FOR IMMOBILIZATION OF BIOLOGICAL SYSTEMS ÚSTAV MAKROMOLEKULÁRNÍ CHEMIE AKADEMIE VEDCESKÉ REPUBLIKY (CZ) 2004-08-12 WO disclosed