SCHEMBL13812632

SCHEMBL13812632

Cc1ccccc1COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 10/20 0.60
▸ FADS1 O60427 3/20 0.59
▸ P2RX4 Q99571 2/20 0.58
▸ P2RX7 Q99572 2/20 0.58
▸ TMPRSS4 Q9NRS4 4/20 0.56
▸ SLC2A1 P11166 1/20 0.51
▸ SGMS2 Q8NHU3 2/20 0.51
▸ OPRL1 P41146 1/20 0.50
▸ MET P08581 1/20 0.49
▸ 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
SCHEMBL13812601 0.90 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812651 0.85 P2RX1 (0.62) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13189711 0.85 P2RX1 (0.65) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812610 0.84 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812611 0.84 P2RX1 (0.66) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13189709 0.83 FADS1 (0.82) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812595 0.83 P2RX1 (0.60) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812905 0.81 KCNMA1 (0.57) P2RX1TMPRSS4SGMS2
SCHEMBL11781796 0.81 KMT2A (0.55) SGMS2OPRL1
SCHEMBL13812633 0.80 P2RX1 (0.59) 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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