SCHEMBL10677717

SCHEMBL10677717

CCc1[nH]c(=O)c(C)cc1C(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ AKR1C3 P42330 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SRD5A2 P31213 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ UCHL1 P09936 2/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL10678457 0.90 LMNA (0.40) ALDH1A1LMNAMAPTL3MBTL1GAA
SCHEMBL10682046 0.88 MAPT (0.48) ALDH1A1LMNAMAPTGAARAB9A
SCHEMBL10681969 0.87 MAPT (0.47) ALDH1A1LMNAAKR1C3MAPTL3MBTL1
SCHEMBL10681806 0.87 PDE3B (0.55) ALDH1A1LMNAMAPTHPGDUCHL1
SCHEMBL10681150 0.87 UCHL1 (0.50) ALDH1A1LMNAAKR1C3MAPTL3MBTL1
SCHEMBL10676837 0.86 CDC7 (0.42) ALDH1A1LMNAAKR1C3MAPTL3MBTL1
SCHEMBL10681674 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTL3MBTL1GAA
SCHEMBL7384614 0.84 PDE3B (0.47) ALDH1A1LMNAAKR1C3MAPTL3MBTL1
SCHEMBL10682007 0.84 ALDH1A1 (0.56) ALDH1A1LMNAMAPTL3MBTL1GAA
SCHEMBL10680630 0.84 NPC1 (0.34) ALDH1A1LMNAMAPTGAARAB9A

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
Send feedback