SCHEMBL10691864

SCHEMBL10691864

O=CCCCCCCCCCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.41
CXCR4 P61073 1/20 0.41
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL7301483 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL16599764 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7381713 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7293982 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7282658 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7294425 1.00 HRH3 (0.61) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7283494 0.98 HRH3 (0.65) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL10695730 0.98 HRH3 (0.65) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7281286 0.98 HRH3 (0.65) HRH3ALDH1A1MAPTALOX15CYP1A2
SCHEMBL7293644 0.98 HRH3 (0.65) HRH3ALDH1A1MAPTALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed