SCHEMBL9750506

SCHEMBL9750506

O=[N+]([O-])c1ccc(C=Cc2ccc(O)cc2)cc1.[KH]

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.73
▸ PTGS1 P23219 2/20 0.73
▸ APP P05067 2/20 0.62
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ FBP1 P09467 3/20 0.60
▸ EGFR P00533 1/20 0.60
▸ CYP19A1 P11511 2/20 0.58
▸ BCHE P06276 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ HSPE1 P61604 1/20 0.50

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
SCHEMBL9750505 1.00 PTGS2 (0.73) PTGS2PTGS1APPNPC1MAPT
SCHEMBL2828903 0.98 PTGS2 (0.76) PTGS2PTGS1APPNPC1MAPT
SCHEMBL6214564 0.98 PTGS2 (0.76) PTGS2PTGS1APPNPC1MAPT
Potassium Ion SCHEMBL9750508 0.96 PTGS2 (0.73) PTGS2PTGS1APPNPC1MAPT
SCHEMBL458177 0.87 APP (0.78) PTGS2PTGS1APPNPC1MAPT
SCHEMBL14947048 0.87 APP (0.78) PTGS2PTGS1APPNPC1MAPT
SCHEMBL9170804 0.87 APP (0.78) PTGS2PTGS1APPNPC1MAPT
SCHEMBL458178 0.87 APP (0.78) PTGS2PTGS1APPNPC1MAPT
SCHEMBL9170800 0.87 APP (0.78) PTGS2PTGS1APPNPC1MAPT
P-Nitrophenol SCHEMBL7937300 0.87 CES1 (0.56) PTGS2PTGS1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5007696-A Electro-optic channel waveguide LOCKHEED MISSILES & SPACE COMPANY, INC. (US) 1991-04-16 — — US disclosed
US-5006285-A Electro-optic channel waveguide LOCKHEED MISSILES & SPACE COMPANY, INC. (US) 1991-04-09 — — US disclosed
US-4915491-A Side chain liquid crystalline acrylic copolymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1990-04-10 — — US disclosed
EP-0315894-A1 Acrylic copolymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-05-17 — — EP disclosed
US-4822865-A TRANSPARENT LIGHT SWITCHES HOECHST CELANESE CORP. (US) 1989-04-18 — — US disclosed
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