SCHEMBL8865576

SCHEMBL8865576

CC(=O)N(CCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCN(CC(=O)OC(C)C)C(C)=O)c4)c4ccc([nH]4)c(-c4cccc(OCCCN(CC(=O)OC(C)C)C(C)=O)c4)c4nc(c(-c5cccc(OCCCN(CC(=O)OC(C)C)C(C)=O)c5)c5ccc2[nH]5)C=C4)C=C3)c1)CC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ P2RY12 Q9H244 2/20 0.41
▸ CHEK2 O96017 1/20 0.39
▸ DYRK3 O43781 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ BRSK1 Q8TDC3 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ MAP4K5 Q9Y4K4 1/20 0.36
▸ CYCS P99999 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8865532 0.89 PDE3B (0.34) PDE3BPDE3AP2RY12CHEK2DYRK3
SCHEMBL8908128 0.87 PPARG (0.42) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8908103 0.86 CHEK2 (0.40) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8908860 0.80 TOP1 (0.41) CYCSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8909537 0.78 TOP1 (0.43) CYCSTOP1ABCG2
SCHEMBL8907757 0.78 PDE3B (0.36) PDE3BPDE3AP2RY12CHEK2KDM4E
SCHEMBL8908441 0.75 L3MBTL1 (0.50) —
SCHEMBL6843058 0.74 CYP1A2 (0.48) KDM4E
SCHEMBL19718153 0.74 PPARG (0.52) PDE3BPDE3AP2RY12CYCSPPARG
SCHEMBL29831314 0.74 PPARG (0.52) PDE3BPDE3AP2RY12CYCSPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP disclosed
US-5674467-A USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1997-10-07 — — US disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 — — WO disclosed
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