SCHEMBL2773020

SCHEMBL2773020

COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL2772268 0.97 KMT2A (0.44) KMT2AMEN1TP53POLBCA1
SCHEMBL2791143 0.92 DHODH (0.42) KMT2AMEN1TP53POLBMAOB
SCHEMBL2787889 0.90 PDE4A (0.38) KMT2AMEN1TP53POLBMAOB
SCHEMBL2772806 0.90 KDM4E (0.48) KMT2AMEN1TP53POLBCA1
SCHEMBL2771247 0.86 PDE4A (0.46) TP53POLBALDH1A1KDM4EHPGD
SCHEMBL2771444 0.86 SMPD1 (0.42) KMT2ATP53POLBCA1CA2
SCHEMBL2771578 0.84 ALDH1A1 (0.41) KMT2AMEN1TP53POLBCA1
SCHEMBL2771225 0.83 PTGES (0.54) KMT2AMEN1POLBMAOBKDM4E
SCHEMBL2771320 0.83 PTGES (0.54) KMT2AMEN1TP53POLBCA1
SCHEMBL2788405 0.83 PDE4A (0.51) KMT2AMEN1TP53POLBRXFP1

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
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
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