SCHEMBL9243227

SCHEMBL9243227

CCCCCCCCCCCCOC(CCC)[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC25A20 O43772 3/20 0.35
TP53 P04637 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CES2 O00748 2/20 0.33

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
SCHEMBL15988546 0.74 CA2 (0.38) CA2CPT2CPT1ACPT1B
SCHEMBL8692682 0.74 CA2 (0.47) CA2MAPTNFKB1CA1GPR84
SCHEMBL9445630 0.71 TSHR (0.40) CA2NPSR1TSHRCYP3A4NFKB1
SCHEMBL3395262 0.70 CA2 (0.41) CA2TSHRCES2CA1GPR84
SCHEMBL9007212 0.70 CA2 (0.42) CA2TSHRMEN1KMT2ACES2
SCHEMBL6871243 0.69 CPT2 (0.48) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL934075 0.69 CPT2 (0.48) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL1626363 0.69 CPT2 (0.48) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL8812137 0.69 CPT2 (0.48) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL3957297 0.69 CPT2 (0.48) MEN1KMT2ACPT2CPT1ACPT1B

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-0417559-B1 Silicone emulsions BAYER AG (DE) 1995-06-28 EP disclosed