SCHEMBL13547830

SCHEMBL13547830

CCOC(=O)CCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCCC(=O)OCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.48
▸ PDE3A Q14432 5/20 0.48
▸ P2RY12 Q9H244 3/20 0.48
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ CYSLTR2 Q9NS75 3/20 0.42
▸ CYSLTR1 Q9Y271 3/20 0.42
▸ FAAH O00519 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ TOP1 P11387 3/20 0.37
▸ MAPK1 P28482 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
SCHEMBL13547834 0.85 STAT3 (0.49) PDE3BPDE3AP2RY12STAT3STAT1
SCHEMBL21523873 0.83 STAT3 (0.53) STAT3STAT1KDM4EPOLB
SCHEMBL585086 0.82 STAT3 (0.55) STAT3STAT1ABCG2TOP1
SCHEMBL3554344 0.81 STAT3 (0.44) PDE3BPDE3AP2RY12STAT3STAT1
SCHEMBL14038527 0.81 STAT3 (0.51) STAT3STAT1KDM4EPOLBTSHR
SCHEMBL3554348 0.81 STAT3 (0.43) PDE3BPDE3AP2RY12STAT3STAT1
SCHEMBL585094 0.80 STAT3 (0.48) STAT3STAT1KDM4EPOLB
SCHEMBL584752 0.80 STAT3 (0.50) STAT3STAT1POLBTOP1
Hydrochloric Acid SCHEMBL27856204 0.80 STAT3 (0.50) STAT3STAT1KDM4EPOLBNPSR1
Exeporfinium SCHEMBL585997 0.80 STAT3 (0.52) STAT3STAT1ABCG2POLBTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649091-B2 complex comprising manganese acetate and {[{(Porphine-5,15-diyl)bis[cyclopropyl-diyl]}](2-)-N21,N22,N23, N24 }; reduce damage to cells; preventing or arresting free radical associated diseases or conditions; free radical scavengers EUKARION, INC. (US) 2010-01-19 — — US disclosed
US-7649091-B2 complex comprising manganese acetate and {[{(Porphine-5,15-diyl)bis[cyclopropyl-diyl]}](2-)-N21,N22,N23, N24 }; reduce damage to cells; preventing or arresting free radical associated diseases or conditions; free radical scavengers EUKARION, INC. (US) 2010-01-19 — — US disclosed
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