SCHEMBL7061186

SCHEMBL7061186

C[N+](C)(C)C(CCCNCCCCCCCCCCCC(=O)O)C(=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
PRMT1 Q99873 1/20 0.40
PAOX Q6QHF9 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALPL P05186 1/20 0.37
POLB P06746 1/20 0.37
ALPG P10696 1/20 0.37
TSHR P16473 5/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 4/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 2/20 0.36
PLA2G4A P47712 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
GPR84 Q9NQS5 4/20 0.35

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
SCHEMBL7895620 0.87 FFAR4 (0.46) ALPLPOLBALPGTSHRLMNA
SCHEMBL3112721 0.84 CA2 (0.42) TSHRALDH1A1
SCHEMBL5574467 0.84 CA2 (0.42) TSHRALDH1A1
SCHEMBL4348459 0.84 CA2 (0.42) TSHRALDH1A1
SCHEMBL5710235 0.84 CA2 (0.42) TSHRALDH1A1
SCHEMBL285029 0.84 ALPL (0.46) ALPLPOLBALPGTSHRLMNA
Water SCHEMBL11659884 0.79 BBOX1 (0.44) ALPLPOLBALPGTSHRLMNA
Dodecanoate SCHEMBL4653513 0.78 GPR84 (0.55) POLBTSHRLMNAALDH1A1FFAR4
Dodecanoate SCHEMBL5520172 0.78 GPR84 (0.50) TSHRLMNANFKB1ALDH1A1FFAR4
SCHEMBL1005600 0.76 POLB (0.48) ALPLPOLBALPG

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
EP-0878716-B1 Measurement of LDL-cholesterol WAKO PURE CHEM IND LTD (JP) 2003-06-04 EP claimed