SCHEMBL11537780

SCHEMBL11537780

COc1ccc(N2C(=O)C3CCCCC3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
POLB P06746 1/20 0.56
MAPT P10636 6/20 0.55
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.50
HTT P42858 1/20 0.50
ACHE P22303 1/20 0.50
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RUNX1 Q01196 1/20 0.48
CBFB Q13951 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL18875024 0.91 GAA (0.50) GAAPOLBMAPTKMT2AL3MBTL1
SCHEMBL18877604 0.91 GAA (0.50) GAAPOLBMAPTKMT2AL3MBTL1
SCHEMBL1218751 0.83 POLB (0.60) GAAPOLBMAPTL3MBTL1MGLL
SCHEMBL18875025 0.82 KMT2A (0.48) GAAPOLBMAPTKMT2AL3MBTL1
SCHEMBL10903734 0.81 TSHR (0.62) GAAPOLBMAPTKMT2AL3MBTL1
SCHEMBL13560875 0.81 GAA (0.65) GAAPOLBMAPTKMT2AALDH1A1
SCHEMBL13265283 0.80 LMNA (0.59) GAAPOLBMAPTKMT2AMGLL
SCHEMBL13624487 0.80 POLB (0.53) GAAPOLBMAPTKMT2AMGLL
SCHEMBL3196396 0.79 LMNA (0.59) MAPTKMT2AALDH1A1HPGDLMNA
SCHEMBL18877712 0.79 KMT2A (0.40) GAAPOLBMAPTKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175948-A HERBICIDES, POSTMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-27 US disclosed
US-4120693-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-10-17 US disclosed