SCHEMBL8865842

SCHEMBL8865842

CCOC(=O)CCc1cccc(-c2c3nc(c(-c4cccc(CCC(=O)OCC)c4)c4ccc([nH]4)c(-c4cccc(CCC(=O)OCC)c4)c4nc(c(-c5cccc(CCC(=O)OCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ P2RY12 Q9H244 1/20 0.48
▸ SYK P43405 5/20 0.46
▸ DGAT2 Q96PD7 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TOP1 P11387 1/20 0.41
▸ CYCS P99999 4/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ FFAR1 O14842 2/20 0.41

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
SCHEMBL8865339 0.87 SYK (0.40) PDE3BPDE3AP2RY12SYKDGAT2
SCHEMBL8908003 0.82 FFAR1 (0.51) TOP1CYCSFFAR1
SCHEMBL8907994 0.81 TOP1 (0.45) ABCG2TOP1CYCSFFAR1
Hydrochloric Acid SCHEMBL8865123 0.81 TOP1 (0.44) ABCG2TOP1CYCSFFAR1
SCHEMBL16247124 0.79 TOP1 (0.45) ABCG2ALDH1A1TOP1CYCS
SCHEMBL8907738 0.79 ABCG2 (0.49) SYKDGAT2ABCG2TOP1CYCS
SCHEMBL21476713 0.78 FFAR1 (0.64) SYKCYP4F2CYP4A11FFAR1
SCHEMBL19718117 0.77 CYSLTR2 (0.47) PDE3BPDE3AP2RY12
SCHEMBL8903063 0.75 TDP1 (0.56) SYKCYP4F2CYP4A11FFAR1
SCHEMBL8909228 0.75 GRIN2D (0.53) MAPTABCG2KDM4EALDH1A1HSD17B10

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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