SCHEMBL13812728

SCHEMBL13812728

COc1ccc(OCCc2ccccc2C(F)(F)F)c(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 9/20 0.50
▸ GAA P10253 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ FADS1 O60427 1/20 0.46
▸ KCNMA1 Q12791 3/20 0.45
▸ P2RX1 P51575 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HIF1A Q16665 1/20 0.44

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
SCHEMBL13812629 0.92 TMPRSS4 (0.55) TMPRSS4GAAKCNMA1P2RX1KDM4E
SCHEMBL13812695 0.90 KCNMA1 (0.52) TMPRSS4GAAKCNMA1P2RX1KDM4E
SCHEMBL13812685 0.89 TMPRSS4 (0.65) TMPRSS4KCNMA1P2RX1KDM4EHPGD
SCHEMBL13812838 0.86 TMPRSS4 (0.55) TMPRSS4GAAKCNMA1P2RX1KDM4E
SCHEMBL13812691 0.85 TMPRSS4 (0.48) TMPRSS4KCNMA1P2RX1MEN1KMT2A
SCHEMBL13812687 0.85 TMPRSS4 (0.50) TMPRSS4GAAKCNMA1P2RX1KDM4E
SCHEMBL13812698 0.85 KCNMA1 (0.51) TMPRSS4GAAPPARGFADS1KCNMA1
SCHEMBL13812727 0.84 TMPRSS4 (0.51) TMPRSS4GAAKCNMA1P2RX1KDM4E
SCHEMBL13812684 0.82 KCNMA1 (0.59) GAAKCNMA1P2RX1KDM4EMAPT
SCHEMBL13812653 0.81 KCNMA1 (0.55) TMPRSS4GAAKCNMA1P2RX1KDM4E

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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