SCHEMBL11045083

SCHEMBL11045083

CCCCCCCCCCCCCCCCCC=Cc1cccc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.51
CYP1A1 P04798 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP1B1 Q16678 3/20 0.48
PRMT1 Q99873 1/20 0.48
CYP19A1 P11511 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 1/20 0.42

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
SCHEMBL30987604 0.84 ALOX5 (0.52) KDM4EMAPTHSD17B10
SCHEMBL5440716 0.83 CYSLTR2 (0.44) KDM4EMAPTHSD17B10
SCHEMBL13570118 0.81 NFE2L2 (0.60) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL6112991 0.79 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4142263 0.79 PPARA (0.48)
SCHEMBL4142267 0.79 PPARA (0.48)
SCHEMBL28710287 0.78 CYSLTR2 (0.46)
SCHEMBL11481642 0.78 CYSLTR2 (0.46)
SCHEMBL11481645 0.78 CYSLTR2 (0.46)
SCHEMBL28250254 0.78 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4428965-A Tolerizing and desensitizing compounds, compositions and methods of treatment against dermatological conditions caused by allergens from plants and trees of the Anacardiaceae and Ginkgoaceae families THE UNIVERSITY OF MISSISSIPPI (US) 1984-01-31 US disclosed