SCHEMBL11725068

SCHEMBL11725068

CC(=O)OC(CNc1ccccc1)COc1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
Water SCHEMBL11565814 0.86 MAPT (0.50) ALOX12LMNAMAPT
SCHEMBL11568718 0.77 NPC1 (0.48) MAPT
SCHEMBL11957636 0.77 POLB (0.55) LMNAL3MBTL1MAPT
SCHEMBL11674847 0.76 MAPT (0.47) GAAALDH1A1LMNAMAPT
SCHEMBL11570598 0.75 MAPT (0.51) MAPT
SCHEMBL11574421 0.74 TDP1 (0.51) GAAALDH1A1LMNAL3MBTL1MAPT
SCHEMBL3364884 0.73 POLB (0.60) LMNAL3MBTL1MAPT
SCHEMBL11800387 0.73 HPGD (0.51) TP53GAAALDH1A1LMNAL3MBTL1
SCHEMBL7088180 0.71 POLB (0.52) MAPT
SCHEMBL11574037 0.71 ALDH1A1 (0.52) ALDH1A1LMNAMAPT

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-4064252-A ARTERIOSCLEROSIS NIPPON SHINYAKU CO., LTD. (JA) 1977-12-20 — — US disclosed
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