SCHEMBL9014946

SCHEMBL9014946

C=CCc1nc2c(nc1OCCC(=C=O)OCC)CCCC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9014938 0.83 TNF (0.40) ALDH1A1LMNAGAAHTTKDM4E
SCHEMBL10422445 0.78 MEN1 (0.31)
SCHEMBL9621040 0.75
SCHEMBL9014981 0.72 CHRM1 (0.30)
SCHEMBL9014942 0.72
SCHEMBL9621365 0.71 PTGDR (0.35)
SCHEMBL9761642 0.70 PTGS1 (0.30)
SCHEMBL9761647 0.69 PTGS1 (0.37)
SCHEMBL9014778 0.61
SCHEMBL9621316 0.57

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed