Hexadecane

Hexadecane

SCHEMBL9420262

CCCCCCCCCCCCCCCC.Cc1ccc(C(=O)O)cc1

nearest known ligand 0.71

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
SRD5A2 P31213 2/20 0.63
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
RARB P10826 9/20 0.61
PLA2G4B P0C869 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 1/20 0.61
RARA P10276 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
KMT2A Q03164 1/20 0.61
PLA2G4A P47712 1/20 0.54

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
Tetradecane SCHEMBL30605685 0.91 TP53 (0.71) ALDH1A1TP53TSHRRARBPLA2G4B
Terephthalic Acid SCHEMBL28502502 0.91 TP53 (0.71) ALDH1A1TP53TSHRRARBPLA2G4B
Terephthalic Acid SCHEMBL28142960 0.91 TP53 (0.71) ALDH1A1TP53TSHRRARBPLA2G4B
Dodecane SCHEMBL9354416 0.91 TP53 (0.71) ALDH1A1TP53TSHRRARBPLA2G4B
4-Methylbenzoic Acid SCHEMBL31121226 0.89 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2SRD5A2TP53TSHR
4-Methylbenzoic Acid SCHEMBL31121225 0.89 L3MBTL1 (0.64) ALDH1A1SMN1; SMN2SRD5A2TP53TSHR
Terephthalic Acid SCHEMBL1884274 0.89 RARB (0.68) ALDH1A1TP53TSHRRARBPLA2G4B
Terephthalic Acid SCHEMBL2944670 0.89 RARB (0.68) ALDH1A1TP53TSHRRARBPLA2G4B
Tetrabuthylammonium SCHEMBL105212 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2SRD5A2TP53TSHR
4-Methylbenzoic Acid SCHEMBL31121249 0.88 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2SRD5A2TP53TSHR

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-5292790-A Modified butadiene-styrene copolymer and carbon black; high strength, abrasion resistance, low fuel consumption after vulcanization BRIDGESTONE CORPORATION (JP) 1994-03-08 US claimed