SCHEMBL13812557

SCHEMBL13812557

CCOc1cc(CNc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ GAA P10253 4/20 0.57
▸ POLB P06746 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ THRB P10828 3/20 0.57
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ATM Q13315 1/20 0.53
▸ FADS1 O60427 1/20 0.52
▸ LRRK2 Q5S007 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ TMPRSS4 Q9NRS4 1/20 0.49
▸ P2RX1 P51575 2/20 0.48
▸ P2RX4 Q99571 1/20 0.48
▸ P2RX7 Q99572 1/20 0.48

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
SCHEMBL3881082 0.89 FADS1 (0.56) MAPTGAAPOLBTP53THRB
SCHEMBL13812570 0.82 TMPRSS4 (0.69) MEN1KMT2AFADS1TMPRSS4P2RX1
SCHEMBL13812580 0.80 TMPRSS4 (0.69) MEN1KMT2AFADS1TMPRSS4P2RX1
SCHEMBL18341186 0.78 LRRK2 (0.60) GAALRRK2TMPRSS4P2RX1P2RX4
SCHEMBL13189711 0.77 P2RX1 (0.65) MEN1KMT2AFADS1LRRK2TMPRSS4
SCHEMBL13812621 0.76 P2RX1 (0.67) FADS1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL13812556 0.76 P2RX1 (0.60) FADS1TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL13812875 0.75 KCNMA1 (0.59) MAPTGAATP53MEN1KMT2A
SCHEMBL13812571 0.75 FADS1 (0.53) MAPTTP53FADS1TMPRSS4P2RX1
SCHEMBL13812558 0.75 P2RX1 (0.59) FADS1TMPRSS4P2RX1P2RX4P2RX7

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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