SCHEMBL18560732

SCHEMBL18560732

CC(C)CC(C(=O)OCCOC(=O)C(CC(C)C)C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.35
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ RNPEP Q9H4A4 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.34
▸ TSHR P16473 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ADAM17 P78536 2/20 0.31
▸ MMP1 P03956 4/20 0.31
▸ MMP2 P08253 4/20 0.31
▸ MMP3 P08254 3/20 0.31
▸ MMP9 P14780 3/20 0.31
▸ MMP8 P22894 3/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ CACNA2D1 P54289 2/20 0.30
▸ CACNB3 P54284 1/20 0.30
▸ CACNA1C Q13936 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
SCHEMBL22238280 0.92 TSHR (0.36) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL18560734 0.89 TSHR (0.34) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL17852291 0.86 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5
SCHEMBL16542382 0.86 ALDH1A1 (0.47) TSHRCA12CA1CA2CA9
SCHEMBL26078279 0.84 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1SLC7A5CACNA2D1
SCHEMBL18597535 0.84 CHRM1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL25694913 0.84 CHRM1 (0.48) TSHRPGRADRA1A
SCHEMBL15443271 0.84 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1RNPEPTSHR
SCHEMBL20221807 0.84 ALDH1A1 (0.40) SLC1A3SLC1A2SLC1A1RNPEPTSHR
SCHEMBL12015497 0.84 TSHR (0.43) SLC1A3SLC1A2SLC1A1RNPEPSLC7A5

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-20170055906-A1 SYSTEMS AND METHODS FOR CONTINUOUS HEALTH MONITORING USING AN OPTO-ENZYMATIC ANALYTE SENSOR WILLOW LABORATORIES, INC. 2017-03-02 — — US disclosed
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