SCHEMBL9480955

SCHEMBL9480955

CN(CCOC(=O)C1CCCCC1)CCOC(=O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ DRD1 P21728 1/20 0.38

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
SCHEMBL9480431 0.89 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AADRB2
Hydrochloric Acid SCHEMBL10401796 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL12120245 0.85 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL12120243 0.82 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL27189598 0.82 CHRM2 (0.56) ALDH1A1MEN1KMT2ACYP3A4ABCB11
SCHEMBL8845363 0.82 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL205737 0.82 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AADRB2
SCHEMBL8631955 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL148328 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL29277592 0.79 CHRM2 (0.52) ALDH1A1MAPTCYP3A4CYP1A2CHRM2

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
US-5194472-A Low fusion temperature, improved polyester compatibility; toners for copiers EASTMAN KODAK COMPANY (US) 1993-03-16 — — US disclosed
US-5110977-A Improved compatibility with polyester binder EASTMAN KODAK COMPANY (US) 1992-05-05 — — US disclosed
EP-0442105-A1 Electrostatographic toner particles containing monomeric ester-containing quaternary ammonium salt charge agents EASTMAN KODAK COMPANY (US) 1991-08-21 — — EP disclosed
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