SCHEMBL11827930

SCHEMBL11827930

O=C(Oc1ccc2c(OC(=O)C3CC3)cccc2c1)C1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ PDGFRB P09619 2/20 0.51
▸ PDGFRA P16234 2/20 0.51
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ FABP7 O15540 5/20 0.44
▸ FABP3 P05413 5/20 0.44
▸ FABP5 Q01469 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL14936956 0.83 KMT2A (1.00) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL14937109 0.81 L3MBTL1 (0.87) KMT2AL3MBTL1MEN1RAB9APDGFRB
SCHEMBL2051416 0.81 L3MBTL1 (0.87) KMT2AL3MBTL1MEN1RAB9APDGFRB
SCHEMBL11827378 0.79 KMT2A (0.80) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL30384576 0.78 KMT2A (0.64) KMT2AL3MBTL1MEN1RAB9APDGFRB
SCHEMBL11829358 0.77 L3MBTL1 (0.75) KMT2AL3MBTL1MEN1RAB9APDGFRB
SCHEMBL12497505 0.77 KMT2A (0.85) KMT2AL3MBTL1MEN1RAB9AESR1
SCHEMBL9785353 0.76 KMT2A (0.45) KMT2AL3MBTL1MEN1RAB9AMAPT
SCHEMBL1615379 0.76 L3MBTL1 (0.77) KMT2AL3MBTL1MEN1RAB9APDGFRB
SCHEMBL6941070 0.76 KMT2A (0.85) KMT2AL3MBTL1MEN1RAB9AESR1

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-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 — — US disclosed
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