SCHEMBL13812803

SCHEMBL13812803

COc1ccccc1CCOc1cccc(NC(=O)c2cc(-c3ccccc3)ccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ NR1H4 Q96RI1 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNK3 O14649 3/20 0.46
▸ KCNK9 Q9NPC2 3/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ FADS1 O60427 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TNIK Q9UKE5 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ MET P08581 1/20 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
SCHEMBL13812809 0.95 POLB (0.51) TRPV1KDM4EGAANR1H4POLB
SCHEMBL13812936 0.95 FADS1 (0.49) TRPV1KDM4EGAAPOLBMEN1
SCHEMBL13812934 0.94 KCNK3 (0.47) TRPV1KDM4ENR1H4POLBMEN1
SCHEMBL13812948 0.94 FADS1 (0.50) TRPV1KDM4EGAAPOLBMEN1
SCHEMBL13812946 0.93 FADS1 (0.54) KDM4EGAAPOLBMEN1KMT2A
SCHEMBL13812942 0.93 POLB (0.50) KDM4EGAAPOLBMEN1KMT2A
SCHEMBL13812938 0.91 GAA (0.47) TRPV1KDM4EGAAPOLBMEN1
SCHEMBL13812944 0.91 KCNK3 (0.45) TRPV1KDM4EGAANR1H4POLB
SCHEMBL13812935 0.91 FADS1 (0.47) KDM4EGAAPOLBMEN1KMT2A
SCHEMBL13812949 0.90 RXFP1 (0.54) KCNK3KCNK9MAPTTP53

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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