SCHEMBL10691862

SCHEMBL10691862

O=[C]CCCCCCCCCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
MAPT P10636 2/20 0.59
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
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL7290189 1.00 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7294081 1.00 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7282651 1.00 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7294419 1.00 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL678788 1.00 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10695726 0.98 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7382943 0.98 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7282473 0.98 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7281275 0.98 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7293637 0.98 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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