SCHEMBL13812595

SCHEMBL13812595

Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 10/20 0.60
▸ FADS1 O60427 2/20 0.59
▸ NR1H4 Q96RI1 2/20 0.59
▸ P2RX4 Q99571 2/20 0.58
▸ P2RX7 Q99572 2/20 0.58
▸ TMPRSS4 Q9NRS4 3/20 0.54
▸ MAOB P27338 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ SLC2A1 P11166 1/20 0.51
▸ SPHK2 Q9NRA0 1/20 0.48
▸ SPHK1 Q9NYA1 1/20 0.48

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
SCHEMBL13812651 0.94 P2RX1 (0.62) P2RX1FADS1NR1H4P2RX4P2RX7
SCHEMBL13812610 0.91 P2RX1 (0.61) P2RX1FADS1NR1H4P2RX4P2RX7
SCHEMBL13812602 0.90 P2RX1 (0.58) P2RX1FADS1NR1H4P2RX4P2RX7
SCHEMBL13189711 0.89 P2RX1 (0.65) P2RX1FADS1NR1H4P2RX4P2RX7
SCHEMBL27771246 0.88 FADS1 (0.57) P2RX1FADS1NR1H4TMPRSS4MAOB
SCHEMBL13812611 0.88 P2RX1 (0.66) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812633 0.84 P2RX1 (0.59) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13189709 0.83 FADS1 (0.82) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812632 0.83 P2RX1 (0.60) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL3860231 0.83 P2RX1 (0.78) P2RX1FADS1P2RX4P2RX7TMPRSS4

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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