SCHEMBL13812946

SCHEMBL13812946

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 3/20 0.54
▸ P2RX1 P51575 3/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL13812948 0.94 FADS1 (0.50) FADS1P2RX1GRM5P2RX4P2RX7
SCHEMBL13812803 0.93 TRPV1 (0.50) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL13812809 0.92 POLB (0.51) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL13812935 0.91 FADS1 (0.47) FADS1P2RX1GRM5NPC1RAB9A
SCHEMBL13812936 0.90 FADS1 (0.49) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL13812942 0.89 POLB (0.50) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL13812934 0.89 KCNK3 (0.47) FADS1NPC1RAB9AMEN1KMT2A
SCHEMBL13812947 0.89 SIRT2 (0.47) FADS1P2RX1P2RX4P2RX7NPC1
SCHEMBL13812938 0.88 GAA (0.47) FADS1P2RX1NPC1RAB9AMEN1
SCHEMBL13812944 0.88 KCNK3 (0.45) FADS1NPC1RAB9APOLBKCNK3

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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