SCHEMBL11323944

SCHEMBL11323944

C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC2(C)CO2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.30

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
SCHEMBL11188385 1.00 HTT (0.38) HTTALDH1A1CNR1
SCHEMBL6153134 0.85 TP53 (0.34)
SCHEMBL11190641 0.80 HTT (0.40) HTTALDH1A1
SCHEMBL295471 0.79 HTT (0.46) HTTALDH1A1
SCHEMBL12040249 0.78 HTT (0.33) HTTALDH1A1
SCHEMBL11184084 0.76 CYP3A4 (0.55) ALDH1A1
SCHEMBL11183800 0.76 CYP3A4 (0.55) ALDH1A1
SCHEMBL10818548 0.76 GABRP (0.32)
SCHEMBL11187717 0.73 HTT (0.42) HTTALDH1A1
SCHEMBL11189216 0.73 APEX1 (0.36)

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-4292151-A MELT SPINNING THE BLOCK POLYMER WITH AN UNSATURATED COMPOUND; CURING WITH ACTINIC RADIATION TEIJIN LIMITED (JP) 1981-09-29 US claimed
US-4292151-A MELT SPINNING THE BLOCK POLYMER WITH AN UNSATURATED COMPOUND; CURING WITH ACTINIC RADIATION TEIJIN LIMITED (JP) 1981-09-29 US disclosed
US-4269947-A AN AROMATIC DICARBOXYLIC ACID-ACYCLIC GLYCOL-BASED POLYESTER MODIFIED BY AN EPOXY-CONTAINING COMPOUND; IMPROVED PROPERTIES; FILMS AND FIBERS TEIJIN LIMITED (JP) 1981-05-26 US disclosed
US-4196066-A UNSATURATED EPOXIDE TEIJIN LIMITED (JP) 1980-04-01 US disclosed