SCHEMBL9535052

SCHEMBL9535052

C#CCOc1ccccc1OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.42
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL679937 0.86 ALDH1A1 (0.78) ALDH1A1GLATDP1TP53TSHR
SCHEMBL22357196 0.86 ALDH1A1 (0.78) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8528592 0.83 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11511065 0.82 ALDH1A1 (0.51) ALDH1A1GLATDP1TP53TSHR
SCHEMBL16392436 0.81 ALDH1A1 (0.66) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6894135 0.80 ALDH1A1 (0.70) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11695226 0.80 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10347560 0.80 MAPT (0.56) TSHRCYP3A4MAPTMAOBCYP2A6
SCHEMBL30663731 0.80 MAPT (0.56) TSHRCYP3A4MAPTMAOBCYP2A6
SCHEMBL19051174 0.79 TDP1 (0.59) ALDH1A1GLATDP1TP53TSHR

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 15 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
US-4727067-A TREATMENT OF ANGINA PECTORIS, CARDIAC ARRHYTHMIA, HYPERTENSION, DEPRESSION CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4636511-A ANTIARRHYTHMIC, HYPOTENSIVE CIBA-GEIGY AG (US) 1987-01-13 US disclosed
US-4604468-A ADRENERIC BLOCKING AGENTS, ANTIDEPRESSANT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 1986-08-05 US disclosed
US-4497813-A ANTIARRHYTHMIA AGENTS, HYPOTENSIVE AGENTS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
US-4381309-A ADRENERGIC BLOCKING AGENTS; ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1983-04-26 US disclosed
US-4343800-A ANTIDEPRESSANTS; ADRENERGIC BLOCKING, HYPOTENSIVE, AND ANTIARRHYTHMIA AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
US-4296117-A ADRENERGIC BLOCKING AGENTS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1981-10-20 US disclosed
US-4256756-A ADRENERGIC BLOCKING AGENTS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US disclosed
US-4255430-A ANDRENERGIC RECEPTOR BLOCKING AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1981-03-10 US disclosed
US-4212877-A ANTIDEPRESSANTS, ADRENERGIC BLOCKING AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-15 US disclosed
US-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US disclosed
US-4039685-A 1-PHENOXY-2-HYDROXY-3-TERT.-BUTYLAMINO PROPANE ANTIARRHYTHMIC COMPOUNDS BOEHRINGER INGELHEIM GMBH (DT) 1977-08-02 US disclosed