SCHEMBL13189706

SCHEMBL13189706

CC(C)Oc1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 13/20 0.72
▸ P2RX4 Q99571 3/20 0.71
▸ P2RX7 Q99572 3/20 0.71
▸ TMPRSS4 Q9NRS4 4/20 0.64
▸ FADS1 O60427 3/20 0.64
▸ SLC2A1 P11166 1/20 0.60
▸ KCNMA1 Q12791 1/20 0.56
▸ CNR1 P21554 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
SCHEMBL30771745 0.88 FADS1 (0.81) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL4270372 0.88 FADS1 (0.81) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13812641 0.86 P2RX1 (0.61) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13189709 0.85 FADS1 (0.82) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13189703 0.84 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL11932152 0.83 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13812633 0.82 P2RX1 (0.59) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13812563 0.82 P2RX1 (0.59) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL3860231 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4FADS1
SCHEMBL13812611 0.81 P2RX1 (0.66) P2RX1P2RX4P2RX7TMPRSS4FADS1

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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