SCHEMBL8907605

SCHEMBL8907605

CCOC(=O)COc1ccc(-c2c3nc(c(-c4ccc(OCC(=O)OCC)cc4)c4ccc([nH]4)c(-c4ccc(OCC(=O)OCC)cc4)c4nc(c(-c5ccc(OCC(=O)OCC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ TOP1 P11387 3/20 0.51
▸ CYCS P99999 4/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ P2RY12 Q9H244 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ADORA2A P29274 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ENPP2 Q13822 1/20 0.46
▸ TERT O14746 1/20 0.45
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL8908945 0.85 ABCG2 (0.46) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL8865488 0.84 MAPT (0.55) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL14629716 0.84 F9 (0.43) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL29558419 0.83 TOP1 (0.61) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL3794157 0.83 TOP1 (0.61) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL14599691 0.83 PDE3B (0.41) ABCG2TOP1CYCSPDE3BPDE3A
SCHEMBL29454950 0.83 TERT (0.55) ABCG2TOP1CYCSKDM4EALDH1A1
SCHEMBL22375349 0.81 PDE3B (0.45) ABCG2TOP1CYCSPDE3BPDE3A
Hydrochloric Acid SCHEMBL8865004 0.80 TOP1 (0.53) ABCG2TOP1CYCSENPP2TERT
SCHEMBL10730297 0.80 MEN1 (0.57) ABCG2TOP1CYCSENPP2

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
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 claimed
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