SCHEMBL1235882

SCHEMBL1235882

COc1cc(C=C(Cl)[N+](=O)[O-])cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NQO2 P16083 5/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP19A1 P11511 2/20 0.43

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
SCHEMBL1235881 1.00 FBP1 (0.51) FBP1PTGS1PTGS2NQO2CYP1A1
SCHEMBL2177375 0.83 FBP1 (0.64) FBP1
SCHEMBL2177378 0.83 FBP1 (0.64) FBP1
SCHEMBL16930378 0.81 FBP1 (0.53) FBP1PTGS1PTGS2NQO2CYP1A1
SCHEMBL16930377 0.81 FBP1 (0.53) FBP1PTGS1PTGS2NQO2CYP1A1
SCHEMBL1237402 0.74 FBP1 (0.69) FBP1
SCHEMBL1237403 0.74 FBP1 (0.69) FBP1
SCHEMBL1458425 0.73 ALDH1A1 (0.53) CYP1A1CYP1B1
SCHEMBL1458423 0.73 ALDH1A1 (0.53) CYP1A1CYP1B1
SCHEMBL1458426 0.73 ALDH1A1 (0.53) CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431595-B2 Furanopyridine cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-04-30 US disclosed
WO-2011022694-A2 FURANOPYRIMIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022692-A2 FURANOPYRIDINE CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022679-A2 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed