SCHEMBL26735085

SCHEMBL26735085

CC(CCO)CCOC(=O)OCCCCCCOC(=O)OCCC(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.40
▸ ACHE P22303 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ TSHR P16473 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL25965470 1.00 ALOX15 (0.40) ALOX15ACHEALDH1A1NAAACHRNB2
SCHEMBL25965494 0.96 ACHE (0.40) ALOX15ACHEALDH1A1NAAACHRNB2
SCHEMBL4555764 0.96 ACHE (0.40) ALOX15ACHEALDH1A1NAAACHRNB2
SCHEMBL4555785 0.92 ALOX15 (0.44) ALOX15ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL26735185 0.84 ALOX15 (0.37) ALOX15ACHEALDH1A1NAAACHRNB2
SCHEMBL26735183 0.79 ALOX15 (0.44) ALOX15ACHEALDH1A1CHRNB2CHRNB4
SCHEMBL28859388 0.79 DGKA (0.50) ALOX15ALDH1A1TSHRCYP3A4
SCHEMBL21143380 0.79 DGKA (0.50) ALOX15ALDH1A1TSHRCYP3A4
SCHEMBL28982388 0.79 DGKA (0.50) ALOX15ALDH1A1TSHRCYP3A4
SCHEMBL23155112 0.79 TSHR (0.59) ALOX15ALDH1A1NAAATSHRCYP3A4

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-20230355352-A1 ARTICLES, METHODS AND COMPOSITIONS COMPRISING POLYMERIZABLE DICARBONYL POLYMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-11-09 — — US disclosed
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