SCHEMBL8708489

SCHEMBL8708489

COC(=O)c1ccc(OCCCCCCN)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.72
RAB9A P51151 2/20 0.64
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6552089 1.00 MAPT (0.72) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL4204731 1.00 MAPT (0.72) MAPTRAB9AGAAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL444912 0.97 MAPT (0.72) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL8683825 0.93 MAPT (0.77) MAPTRAB9AGAAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL6982145 0.92 MAPT (0.74) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL5054312 0.92 MAPT (0.85) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL20692508 0.89 MAPT (0.66) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL19729163 0.89 MAPT (0.70) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL443043 0.88 MAPT (0.79) MAPTRAB9AGAAL3MBTL1TDP1
SCHEMBL6132720 0.87 MAPT (0.77) MAPTRAB9AGAAL3MBTL1TDP1

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
WO-1998054142-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed