SCHEMBL28066099

SCHEMBL28066099

O=C1CCC(C2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.35
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
KMT2A Q03164 1/20 0.31
SHBG P04278 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6889662 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL6889659 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL7009533 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL1865812 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL4864165 0.97 ALDH1A1 (0.40) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL3975742 0.97 ALDH1A1 (0.40) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL11593525 0.95 ALDH1A1 (0.35) ALDH1A1MAPTTRIM24TRIM33SHBG
SCHEMBL16512839 0.95 ALDH1A1 (0.35) ALDH1A1MAPTTRIM24TRIM33SHBG
SCHEMBL10514312 0.90 TRIM24 (0.41) ALDH1A1MAPTTRIM24TRIM33
SCHEMBL1244592 0.90 ALDH1A1 (0.42) ALDH1A1MAPTNOS1NOS2CA1

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-105503699-A Oxo carbon-based compounds, a resin composition comprising the same and a filter containing the resin composition NIPPON CATALYTIC CHEM IND 2016-04-20 CN disclosed