SCHEMBL8672680

SCHEMBL8672680

O=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ TBXAS1 P24557 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ PTGS2 P35354 1/20 0.71
▸ MAPK14 Q16539 1/20 0.71
▸ P2RX1 P51575 1/20 0.68
▸ P2RX4 Q99571 1/20 0.68
▸ P2RX7 Q99572 1/20 0.68
▸ STK39 Q9UEW8 10/20 0.65
▸ HSPD1 P10809 1/20 0.64
▸ HSPE1 P61604 1/20 0.64
▸ FADS1 O60427 2/20 0.64
▸ PARG Q86W56 2/20 0.60
▸ PNLIP P16233 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 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
SCHEMBL9868077 0.88 STK39 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
Hydrochloric Acid SCHEMBL11777767 0.86 STK39 (0.75) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL11680848 0.84 STK39 (0.71) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL10359778 0.84 HSPD1 (0.63) P2RX1P2RX4P2RX7HSPD1HSPE1
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL29367227 0.83 PTGS1 (1.00) PTGS1TBXAS1MAPK1PTGS2MAPK14
3,3',4',5-Tetrachlorosalicylanilide SCHEMBL168748 0.83 PTGS1 (1.00) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL29375129 0.83 PTGS1 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL649911 0.83 PTGS1 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL11932152 0.81 P2RX1 (1.00) P2RX1P2RX4P2RX7FADS1
SCHEMBL5631068 0.81 P2RX1 (0.77) P2RX1P2RX4P2RX7HSPD1HSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693919-B1 ORAL COMPOSITIONS FOR TREATING PLAQUE AND GINGIVITIS CONTAINING A NONCATIONIC ANTIBACTERIAL AGENT AND A BICARBONATE SALT PROCTER & GAMBLE (US) 1998-12-23 — — EP disclosed
US-5290541-A Methods for making oral compositions THE PROCTER & GAMBLE COMPANY (US) 1994-03-01 — — US disclosed
WO-1992010991-A1 METHODS FOR MAKING ORAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-07-09 — — WO disclosed
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