SCHEMBL10790009

SCHEMBL10790009

CC(C)NCC(O)c1cc(O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.58
▸ ADRB1 P08588 7/20 0.58
▸ ADRB3 P13945 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ TSHR P16473 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ HIF1A Q16665 4/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ MTOR P42345 2/20 0.58
▸ ADRA1A P35348 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58

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
SCHEMBL31392616 0.86 ADRA2A (0.47) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL31392618 0.77 ADRA2A (0.46) ADRB2ADRB1ADRB3MAPTTSHR
SCHEMBL2987382 0.76 ADRA2A (0.43) MAPTTSHRTDP1HSD17B10ADRA1A
Deterenol SCHEMBL31419987 0.74 ADRB2 (0.67) ADRB2ADRB1ADRB3MAPTTSHR
Deterenol SCHEMBL828537 0.74 ADRB2 (0.67) ADRB2ADRB1ADRB3MAPTTSHR
Isoproterenol SCHEMBL4165 0.74 MAPT (1.00) ADRB2ADRB1ADRB3MAPTTSHR
Isoproterenol SCHEMBL29519146 0.74 MAPT (1.00) ADRB2ADRB1ADRB3MAPTTSHR
Levisoprenaline SCHEMBL250806 0.74 MAPT (1.00) ADRB2ADRB1ADRB3MAPTTSHR
Isoproterenol SCHEMBL3253794 0.74 MAPT (1.00) ADRB2ADRB1ADRB3MAPTTSHR
Isoproterenol SCHEMBL4166 0.74 MAPT (1.00) ADRB2ADRB1ADRB3MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0108145-B1 DEVICE FOR DELIVERY OF A DRUG Key Pharmaceuticals, Inc. (US) 1987-08-19 — — EP claimed
US-4484577-A Drug delivery method and inhalation device therefor KEY PHARMACEUTICALS, INC. (US) 1984-11-27 — — US claimed
EP-0108145-B1 DEVICE FOR DELIVERY OF A DRUG Key Pharmaceuticals, Inc. (US) 1987-08-19 — — EP disclosed
US-4484577-A Drug delivery method and inhalation device therefor KEY PHARMACEUTICALS, INC. (US) 1984-11-27 — — US disclosed
EP-0108145-A4 DEVICE FOR DELIVERY OF A DRUG. KEY PHARMA (US) 1984-09-28 — — EP disclosed
EP-0108145-A1 DEVICE FOR DELIVERY OF A DRUG. KEY PHARMA (US) 1984-05-16 — — EP disclosed
WO-1983003976-A1 DEVICE AND METHOD FOR DELIVERY OF A DRUG KEY PHARMACEUTICALS, INC. (US) 1983-11-24 — — WO disclosed
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