SCHEMBL31347643

SCHEMBL31347643

CCCCCCCCCCCCNCCN(CC)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.49
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 4/20 0.40
KDM5A P29375 3/20 0.39
KDM4C Q9H3R0 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38

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
SCHEMBL133298 0.93 TSHR (0.46) PAOXTSHRALDH1A1S1PR2S1PR4
Hydrochloric Acid SCHEMBL4538285 0.92 TSHR (0.45) PAOXTSHRALDH1A1S1PR2S1PR4
Edetic Acid SCHEMBL10949676 0.88 TDP1 (0.52) PAOXTSHRALDH1A1S1PR2S1PR4
Nitrilotriacetic Acid SCHEMBL1118282 0.88 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
Nitrilotriacetic Acid SCHEMBL3154724 0.88 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL355144 0.87 PAOX (0.43) PAOXTSHRALDH1A1S1PR2S1PR4
Acetic Acid SCHEMBL3205791 0.86 PAOX (0.60) PAOXTSHRALDH1A1S1PR2S1PR4
SCHEMBL11588468 0.86 TSHR (0.39) PAOXTSHRALDH1A1S1PR2S1PR4
SCHEMBL11585916 0.86 TSHR (0.39) PAOXTSHRALDH1A1S1PR2S1PR4
SCHEMBL5880662 0.86 PAOX (0.42) PAOXTSHRALDH1A1S1PR2S1PR4

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-119343748-A Chemical mechanical polishing composition and polishing method JSR株式会社 2025-01-21 CN disclosed