SCHEMBL8765211

SCHEMBL8765211

COc1cccc(/C=C\[N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 1.00
TLR4 O00206 7/20 0.71
TLR2 O60603 7/20 0.71
TERT O14746 1/20 0.62
MAOA P21397 3/20 0.61
MAOB P27338 3/20 0.61
VCP P55072 2/20 0.59

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
SCHEMBL792987 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL31287227 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL278627 1.00 FBP1 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL6540500 0.87 FBP1 (0.76) FBP1TLR4TLR2TERTMAOA
SCHEMBL6540497 0.87 FBP1 (0.76) FBP1TLR4TLR2TERTMAOA
SCHEMBL6278181 0.83 FBP1 (0.71) FBP1TLR4TLR2
SCHEMBL334577 0.82 FBP1 (0.70) FBP1TLR4TLR2VCP
SCHEMBL334578 0.82 FBP1 (0.70) FBP1TLR4TLR2VCP
SCHEMBL510714 0.82 TLR4 (1.00) FBP1TLR4TLR2TERTMAOA
SCHEMBL510715 0.82 TLR4 (1.00) FBP1TLR4TLR2TERTMAOA

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-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed