SCHEMBL19975783

SCHEMBL19975783

CC(C)(C)OC(=O)NCCCC[C@H]1CN(Cc2cc(C(=O)OCc3ccccc3)cc(C(=O)O)n2)CCN(Cc2cc(C(=O)OCc3ccccc3)cc(C(=O)O)n2)CCN1Cc1cc(C(=O)OCc2ccccc2)cc(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
SIGMAR1 Q99720 3/20 0.39
ABCB1 P08183 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
DRD2 P14416 4/20 0.36
KLK7 P49862 2/20 0.36
KLK5 Q9Y337 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL19975780 0.95 CHRM4 (0.39) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975607 0.92 CHRM4 (0.40) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975612 0.91 POLB (0.35) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975609 0.89 CHRM4 (0.39) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975616 0.86 L3MBTL1 (0.36) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975610 0.85 MAPT (0.35) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975776 0.82 CHRM4 (0.39) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975615 0.82 MAPT (0.33) MAPTSIGMAR1ABCB1ITGB3ITGA2B
SCHEMBL19975781 0.82 ALDH1A1 (0.39) SIGMAR1L3MBTL1
SCHEMBL19975613 0.80 CHRM4 (0.40) MAPTSIGMAR1ITGB3ITGA2BDRD2

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-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed