SCHEMBL19184705

SCHEMBL19184705

C=C(C(=O)OCC)C(=O)OCC1CCC(COC(=O)C(=C)C(=O)OCC2CCC(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GLO1 Q04760 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 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
SCHEMBL18539083 0.93 ALDH1A1 (0.42) ALDH1A1MAPTTSHRGAAL3MBTL1
SCHEMBL18499282 0.88 ALDH1A1 (0.39) ALDH1A1MAPTTSHRGAAL3MBTL1
SCHEMBL4960125 0.85 LMNA (0.45) ALDH1A1MAPTTSHRL3MBTL1NPSR1
SCHEMBL19679637 0.84 TSHR (0.44) ALDH1A1MAPTTSHRGAANPSR1
SCHEMBL465384 0.81 ALDH1A1 (0.53) ALDH1A1TSHRCYP2D6
SCHEMBL16217699 0.80 SLC1A3 (0.36) ALDH1A1MAPTTSHRCYP2D6SLC1A3
SCHEMBL19184702 0.80 ALDH1A1 (0.34) ALDH1A1MAPTTRPM8TSHRCYP2D6
SCHEMBL16217705 0.79 CASP1 (0.35) ALDH1A1MAPTTSHRL3MBTL1CYP2D6
SCHEMBL13080336 0.77 ALDH1A1 (0.49) ALDH1A1TSHRCYP2D6
SCHEMBL79588 0.75 ALDH1A1 (0.56) ALDH1A1MAPTTSHRGAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718989-B1 Coatings containing polyester macromers containing 1,1-dicarbonyl-substituted 1 alkenes SIRRUS, INC. (US) 2017-08-01 — — US disclosed
US-9718989-B1 Coatings containing polyester macromers containing 1,1-dicarbonyl-substituted 1 alkenes SIRRUS, INC. (US) 2017-08-01 — — US disclosed
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