SCHEMBL13812556

SCHEMBL13812556

CC(C)c1ccc(CNc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 11/20 0.60
▸ P2RX4 Q99571 3/20 0.60
▸ P2RX7 Q99572 3/20 0.60
▸ TMPRSS4 Q9NRS4 4/20 0.55
▸ SLC2A1 P11166 1/20 0.53
▸ FADS1 O60427 3/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ PLG P00747 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ KLK6 Q92876 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
SCHEMBL13812558 0.90 P2RX1 (0.59) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812570 0.88 TMPRSS4 (0.69) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812633 0.82 P2RX1 (0.59) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812580 0.81 TMPRSS4 (0.69) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812621 0.81 P2RX1 (0.67) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812554 0.79 MEN1 (0.59) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL3881082 0.78 FADS1 (0.56) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932152 0.77 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812620 0.77 FADS1 (0.65) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL4272739 0.77 P2RX1 (0.72) P2RX1P2RX4P2RX7TMPRSS4SLC2A1

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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