SCHEMBL10695726

SCHEMBL10695726

O=[C]CCCCCCCCCCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.65
MAPT P10636 3/20 0.57
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
CXCR4 P61073 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7281275 1.00 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7283489 1.00 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7382943 1.00 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7293637 1.00 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7282473 1.00 HRH3 (0.65) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7294081 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7294419 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL678788 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7282651 0.98 HRH3 (0.61) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL10691862 0.98 HRH3 (0.61) 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