SCHEMBL13812949

SCHEMBL13812949

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccc2O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 11/20 0.54
▸ P2RX1 P51575 3/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ TMPRSS4 Q9NRS4 2/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ MCHR1 Q99705 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45

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
SCHEMBL13812803 0.90 TRPV1 (0.50) TP53MAPTKCNK3KCNK9
SCHEMBL13812809 0.89 POLB (0.51) TP53MAPTKCNK3KCNK9
SCHEMBL13812936 0.88 FADS1 (0.49) LMNATP53MAPTKCNK3KCNK9
SCHEMBL13812946 0.87 FADS1 (0.54) P2RX1TMPRSS4P2RX4P2RX7LMNA
SCHEMBL13812934 0.87 KCNK3 (0.47) LMNATP53KCNK3KCNK9
SCHEMBL13812942 0.87 POLB (0.50) TP53KCNK3KCNK9
SCHEMBL13812948 0.86 FADS1 (0.50) P2RX1TMPRSS4P2RX4P2RX7LMNA
SCHEMBL13812938 0.86 GAA (0.47) P2RX1LMNATP53MAPTKCNK3
SCHEMBL13812944 0.85 KCNK3 (0.45) MCHR1LMNATP53MAPTKCNK3
SCHEMBL13812935 0.85 FADS1 (0.47) P2RX1TP53MAPTKCNK3KCNK9

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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