SCHEMBL7435574

SCHEMBL7435574

COc1cc(NC(=O)N2CCC(=O)CC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
NAMPT P43490 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
HPGD P15428 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL418170 0.85 L3MBTL1 (0.69) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL11354403 0.84 POLB (0.61) POLBL3MBTL1NAMPTSMN1; SMN2KDM4E
SCHEMBL11353914 0.83 SMN1; SMN2 (0.73) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL11355367 0.83 POLB (0.59) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL11355371 0.83 POLB (0.59) POLBL3MBTL1NAMPTSMN1; SMN2MAPT
SCHEMBL7440438 0.80 ALDH1A1 (0.54) SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL7431550 0.78 POLB (0.68) POLBL3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL12626568 0.77 MAPT (0.79) SMN1; SMN2MAPTLMNA
SCHEMBL7440511 0.75 PKM (0.54) POLBL3MBTL1SMN1; SMN2THRBMAPT
SCHEMBL11363142 0.75 L3MBTL1 (0.74) POLBL3MBTL1NAMPTSMN1; SMN2LMNA

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