SCHEMBL13812563

SCHEMBL13812563

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 0.59
▸ TMPRSS4 Q9NRS4 5/20 0.58
▸ FADS1 O60427 3/20 0.58
▸ P2RX4 Q99571 3/20 0.57
▸ P2RX7 Q99572 3/20 0.57
▸ SLC2A1 P11166 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL13812585 0.88 FADS1 (0.61) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13189709 0.82 FADS1 (0.82) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13189706 0.82 P2RX1 (0.72) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13189711 0.82 P2RX1 (0.65) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13812633 0.82 P2RX1 (0.59) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13812641 0.81 P2RX1 (0.61) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL3863657 0.80 P2RX1 (0.62) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL13812642 0.79 P2RX1 (0.61) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL30771745 0.79 FADS1 (0.81) P2RX1TMPRSS4FADS1P2RX4P2RX7
SCHEMBL4270372 0.79 FADS1 (0.81) P2RX1TMPRSS4FADS1P2RX4P2RX7

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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