SCHEMBL13812809

SCHEMBL13812809

COc1cccc(-c2ccc(O)c(C(=O)Nc3cccc(OCCc4ccccc4OC)c3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ FADS1 O60427 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TNIK Q9UKE5 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KCNK3 O14649 2/20 0.46
▸ KCNK9 Q9NPC2 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ NLRP3 Q96P20 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 0.95 TRPV1 (0.50) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812936 0.94 FADS1 (0.49) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812750 0.92 FADS1 (0.58) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812946 0.92 FADS1 (0.54) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812934 0.92 KCNK3 (0.47) POLBKDM4ENPC1RAB9AFADS1
SCHEMBL13812942 0.92 POLB (0.50) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812948 0.91 FADS1 (0.50) POLBKDM4EGAAFADS1TRPV1
SCHEMBL13812938 0.91 GAA (0.47) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812944 0.90 KCNK3 (0.45) POLBKDM4EGAANPC1RAB9A
SCHEMBL13812935 0.90 FADS1 (0.47) POLBKDM4EGAANPC1RAB9A

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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