SCHEMBL8930285

SCHEMBL8930285

CC(C)=C(C(=O)O)C(C)N.CCCCCCCCCCCCCCCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
FAAH O00519 1/20 0.37
THRB P10828 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
GPR84 Q9NQS5 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TLR2 O60603 1/20 0.34
MEN1 O00255 1/20 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
Alanine SCHEMBL28014257 0.80 TSHR (0.50) TSHRALDH1A1FAAHGRIK1GRIK2
Alanine SCHEMBL28481821 0.78 TSHR (0.48) TSHRALDH1A1FAAHGRIK1GRIK2
Chloromethane SCHEMBL203880 0.78 GRIK1 (0.35) ALDH1A1GRIK1
SCHEMBL2385953 0.78 GRIK1 (0.38) GRIK1GRIK2
Acetic Acid SCHEMBL28178945 0.75 TSHR (0.68) TSHRALDH1A1FAAHPPARGPPARD
SCHEMBL27947850 0.74 TSHR (0.54) TSHRALDH1A1FAAHGRIK1GRIK2
Alanine SCHEMBL27852198 0.74 TSHR (0.50) TSHRALDH1A1GRIK1GRIK2ACE2
Carbamic Acid SCHEMBL10844466 0.73 TSHR (0.65) TSHRALDH1A1FAAHPPARGPPARD
Pyruvate SCHEMBL27923180 0.73 TSHR (0.57) TSHRALDH1A1FAAHTHRBFNTA
Acetone SCHEMBL28998135 0.73 TSHR (0.72) TSHRALDH1A1FAAHPPARGPPARD

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
US-5597858-A POLYMERIZATION OF CATIONIC MONOMERS AS DISPERSANTS NALCO CHEMICAL COMPANY (US) 1997-01-28 US claimed