SCHEMBL13812908

SCHEMBL13812908

O=C(O)c1ccc(COc2ccc(C(F)(F)F)cc2NC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.61
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
LRRK2 Q5S007 2/20 0.53
P2RX1 P51575 3/20 0.52
P2RX4 Q99571 3/20 0.52
P2RX7 Q99572 3/20 0.52
MRGPRX4 Q96LA9 8/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
KMT2A Q03164 2/20 0.49
SLC2A1 P11166 1/20 0.49
MEN1 O00255 1/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
MYLK Q15746 1/20 0.49

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
SCHEMBL13812844 0.91 TMPRSS4 (0.64) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812896 0.91 TMPRSS4 (0.59) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812921 0.90 TMPRSS4 (0.61) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812928 0.90 TMPRSS4 (0.62) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812920 0.87 TMPRSS4 (0.63) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812857 0.84 TMPRSS4 (0.71) TMPRSS4P2RX1P2RX4P2RX7KMT2A
SCHEMBL13812923 0.83 TMPRSS4 (0.60) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812538 0.83 TMPRSS4 (0.64) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812711 0.83 TMPRSS4 (0.64) TMPRSS4LRRK2P2RX1P2RX4P2RX7
SCHEMBL13812902 0.83 TMPRSS4 (0.59) TMPRSS4LRRK2P2RX1P2RX4P2RX7

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