SCHEMBL7440438

SCHEMBL7440438

COc1cc(NC(=O)CN2CCC(=O)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GFER P55789 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MDM2 Q00987 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
ATM Q13315 1/20 0.49
MAPK10 P53779 1/20 0.48

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
SCHEMBL11359041 0.84 MEN1 (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL7279555 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11360125 0.84 ALDH1A1 (0.54) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL7438879 0.84 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL7435574 0.80 POLB (0.59) MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL7439654 0.78 ALDH1A1 (0.71) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL31520481 0.78 ALDH1A1 (0.51) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL31520492 0.77 KMT2A (0.63) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL31520487 0.77 MEN1 (0.68) ALDH1A1GAAKMT2AMEN1KDM4E
SCHEMBL31520486 0.77 ALDH1A1 (0.67) ALDH1A1GAAKMT2AMEN1KDM4E

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed