SCHEMBL13812606

SCHEMBL13812606

Cc1ccc(CCOc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 0.59
▸ FADS1 O60427 2/20 0.58
▸ P2RX4 Q99571 3/20 0.57
▸ P2RX7 Q99572 3/20 0.57
▸ SIRT2 Q8IXJ6 2/20 0.53
▸ TMPRSS4 Q9NRS4 4/20 0.53
▸ SLC2A1 P11166 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ LMNA P02545 1/20 0.47

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
SCHEMBL13812602 0.91 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL3863657 0.91 P2RX1 (0.62) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812610 0.90 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812591 0.89 P2RX1 (0.56) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812608 0.87 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812778 0.86 NR1H4 (0.54) FADS1SIRT2LMNA
SCHEMBL13812577 0.86 P2RX1 (0.55) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812642 0.85 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812578 0.85 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812601 0.85 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7SIRT2

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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