SCHEMBL13812778

SCHEMBL13812778

Cc1ccc(O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.54
▸ SIRT2 Q8IXJ6 3/20 0.53
▸ LMNA P02545 2/20 0.50
▸ FADS1 O60427 1/20 0.50
▸ HPGD P15428 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46

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
SCHEMBL13812782 0.91 NR1H4 (0.54) NR1H4SIRT2LMNAHPGDLRRK2
SCHEMBL13812751 0.88 FADS1 (0.60) NR1H4SIRT2FADS1HPGDLRRK2
SCHEMBL13812547 0.88 MEN1 (0.55) NR1H4SIRT2LMNAFADS1MEN1
SCHEMBL13812748 0.88 NR1H4 (0.55) NR1H4SIRT2LMNAFADS1LRRK2
SCHEMBL13812761 0.88 SIRT2 (0.60) NR1H4SIRT2LMNAFADS1HPGD
SCHEMBL3863657 0.87 P2RX1 (0.62) NR1H4SIRT2FADS1MEN1KMT2A
SCHEMBL13812759 0.87 LRRK2 (0.58) NR1H4SIRT2FADS1LRRK2THRB
SCHEMBL13812606 0.86 P2RX1 (0.59) SIRT2LMNAFADS1
SCHEMBL13812776 0.85 KCNK3 (0.51) LMNAFADS1KMT2AALDH1A1CYP1A2
SCHEMBL13812602 0.85 P2RX1 (0.58) NR1H4SIRT2LMNAFADS1

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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