SCHEMBL7549182

SCHEMBL7549182

CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC.[BH4-]

nearest known ligand 0.93

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 3/20 0.87
▸ ALDH1A1 P00352 1/20 0.81
▸ TP53 P04637 1/20 0.81
▸ CYP3A4 P08684 1/20 0.81
▸ ALOX15 P16050 1/20 0.81
▸ TSHR P16473 1/20 0.81
▸ ALOX12 P18054 1/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ HIF1A Q16665 1/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ SLC22A2 O15244 1/20 0.80
▸ DNM1 Q05193 8/20 0.72

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
SCHEMBL7549391 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL158607 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4059060 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL4059099 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL332137 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL2521928 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1009645 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL13567361 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7553765 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1060273 0.97 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 — — EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 — — US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 — — EP disclosed
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