SCHEMBL13812585

SCHEMBL13812585

CCC(COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 3/20 0.61
▸ P2RX1 P51575 13/20 0.58
▸ P2RX4 Q99571 3/20 0.58
▸ P2RX7 Q99572 3/20 0.58
▸ TMPRSS4 Q9NRS4 5/20 0.56
▸ SLC2A1 P11166 1/20 0.48
▸ MAPT P10636 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
SCHEMBL13812563 0.88 P2RX1 (0.59) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812679 0.85 TMPRSS4 (0.51) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812680 0.85 MAPT (0.53) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189709 0.83 FADS1 (0.82) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812650 0.82 KCNMA1 (0.53) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189711 0.80 P2RX1 (0.65) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189706 0.79 P2RX1 (0.72) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL3863657 0.79 P2RX1 (0.62) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812633 0.78 P2RX1 (0.59) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812641 0.78 P2RX1 (0.61) FADS1P2RX1P2RX4P2RX7TMPRSS4

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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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