SCHEMBL13825919

SCHEMBL13825919

Oc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.71
▸ BCL2L1 Q07817 1/20 0.71
▸ ESR1 P03372 9/20 0.58
▸ ESR2 Q92731 7/20 0.58
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ PDE4A P27815 1/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ PTPN1 P18031 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HSD17B1 P14061 1/20 0.48
▸ HSD17B2 P37059 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.46

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
SCHEMBL30633884 0.98 MMP3 (0.67) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL27979824 0.98 MMP3 (0.67) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL16000739 0.95 MMP3 (0.62) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL30692092 0.93 ESR1 (0.57) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL5705575 0.93 ESR1 (0.57) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL20323049 0.88 ESR1 (0.61) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL4349120 0.88 MMP3 (0.61) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL13059867 0.88 MMP3 (0.61) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL21667783 0.87 MMP3 (0.83) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL20323043 0.87 MMP3 (0.83) MMP3BCL2L1ESR1ESR2MEN1

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-2012152366-A1 ORGANIC IONIC COMPOUNDS, COMPOSITIONS AND ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-15 — — WO disclosed
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