SCHEMBL9537327

SCHEMBL9537327

C=C(C)C1(OCC2CO2)C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL10602221 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9537096 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7201156 0.73 TSHR (0.35) ALDH1A1TSHRMAPK1
SCHEMBL31454952 0.70 MGLL (0.41)
SCHEMBL10600807 0.69 PDCD4 (0.34) ALDH1A1
SCHEMBL8418758 0.67 CYP11B1 (0.31)
SCHEMBL8734914 0.62
SCHEMBL1819835 0.61 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1
SCHEMBL353078 0.60
Methyl Alcohol SCHEMBL28173966 0.59 TSHR (0.45) ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed