SCHEMBL13812838

SCHEMBL13812838

O=C(Nc1ccc(Cl)cc1OCCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 12/20 0.55
▸ GRM5 P41594 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MRGPRX1 Q96LB2 2/20 0.46
▸ KCNMA1 Q12791 2/20 0.46
▸ P2RX1 P51575 4/20 0.46
▸ P2RX4 Q99571 3/20 0.46
▸ P2RX7 Q99572 3/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ MYLK Q15746 1/20 0.46
▸ MAP4K5 Q9Y4K4 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
SCHEMBL13812727 0.94 TMPRSS4 (0.51) TMPRSS4GRM5KDM4EMRGPRX1KCNMA1
SCHEMBL13812629 0.92 TMPRSS4 (0.55) TMPRSS4GRM5KDM4EKCNMA1P2RX1
SCHEMBL13812687 0.89 TMPRSS4 (0.50) TMPRSS4GRM5KDM4EMRGPRX1KCNMA1
SCHEMBL13812685 0.89 TMPRSS4 (0.65) TMPRSS4KDM4EKCNMA1P2RX1P2RX4
SCHEMBL13812695 0.88 KCNMA1 (0.52) TMPRSS4GRM5KDM4EMRGPRX1KCNMA1
SCHEMBL13812728 0.86 TMPRSS4 (0.50) TMPRSS4KDM4EKCNMA1P2RX1MEN1
SCHEMBL13812729 0.86 TMPRSS4 (0.53) TMPRSS4GRM5KDM4EKCNMA1P2RX1
SCHEMBL13812688 0.86 TMPRSS4 (0.53) TMPRSS4GRM5KDM4EKCNMA1P2RX1
SCHEMBL13812691 0.86 TMPRSS4 (0.48) TMPRSS4GRM5MRGPRX1KCNMA1P2RX1
SCHEMBL13812816 0.85 TMPRSS4 (0.43) TMPRSS4GRM5KDM4EMRGPRX1KCNMA1

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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