SCHEMBL5044109

SCHEMBL5044109

CC(=O)CC(=O)OCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ HPGD P15428 4/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PPARG P37231 1/20 0.41
▸ FAAH O00519 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MTNR1A P48039 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MTNR1B P49286 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL14274998 0.89 KDM4E (0.41) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL22827986 0.85 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9883394 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL21969422 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL9280541 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL1801991 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL20844614 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL21969019 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL30542093 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL417057 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD

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-20080039342-A1 PROCESS FOR TRANSITION METAL-CATALYZED ELECTROCHEMICAL ALLYLIC ALKYLATION ON AN ELECTRODE ARRAY DEVICE COMBIMATRIX CORPORATION (US) 2008-02-14 — — US disclosed
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