SCHEMBL13189709

SCHEMBL13189709

CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.82
▸ P2RX1 P51575 12/20 0.69
▸ P2RX4 Q99571 3/20 0.67
▸ P2RX7 Q99572 3/20 0.67
▸ TMPRSS4 Q9NRS4 4/20 0.61
▸ TP53 P04637 2/20 0.60
▸ TAS1R3 Q7RTX0 1/20 0.59
▸ TAS1R1 Q7RTX1 1/20 0.59
▸ SLC2A1 P11166 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ KCNMA1 Q12791 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL4270372 0.86 FADS1 (0.81) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL30771745 0.86 FADS1 (0.81) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812611 0.86 P2RX1 (0.66) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812651 0.85 P2RX1 (0.62) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189706 0.85 P2RX1 (0.72) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189711 0.85 P2RX1 (0.65) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812610 0.84 P2RX1 (0.61) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812595 0.83 P2RX1 (0.60) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812632 0.83 P2RX1 (0.60) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812585 0.83 FADS1 (0.61) FADS1P2RX1P2RX4P2RX7TMPRSS4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101648-A1 GLUTAMATE RECEPTOR MODULATORS AND THERAPEUTIC AGENTS WOOD RICHARD D (US) 2010-09-10 — — WO disclosed
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