SCHEMBL13812751

SCHEMBL13812751

COc1ccc(O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.60
▸ RAB9A P51151 4/20 0.57
▸ MET P08581 1/20 0.55
▸ LRRK2 Q5S007 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ NLRP3 Q96P20 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.50

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
SCHEMBL13812749 0.92 MET (0.60) RAB9AMETLRRK2SIRT2NR1H4
SCHEMBL13812778 0.88 NR1H4 (0.54) FADS1RAB9ALRRK2SIRT2NR1H4
SCHEMBL13812750 0.88 FADS1 (0.58) FADS1RAB9AMETLRRK2NPC1
SCHEMBL13812547 0.87 MEN1 (0.55) FADS1RAB9ASIRT2NR1H4NPC1
SCHEMBL13812748 0.87 NR1H4 (0.55) FADS1METLRRK2SIRT2NR1H4
SCHEMBL13812761 0.87 SIRT2 (0.60) FADS1RAB9ASIRT2NR1H4NPC1
SCHEMBL13812759 0.86 LRRK2 (0.58) FADS1METLRRK2SIRT2NR1H4
SCHEMBL3863657 0.86 P2RX1 (0.62) FADS1RAB9ASIRT2NR1H4NPC1
SCHEMBL13812736 0.85 KCNK3 (0.56) RAB9AMETLRRK2SIRT2NR1H4
SCHEMBL13812782 0.82 NR1H4 (0.54) METLRRK2SIRT2NR1H4KMT2A

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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