SCHEMBL8067713

SCHEMBL8067713

CC(C)(C)NCC(O)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.62
HIF1A Q16665 4/20 0.62
TSHR P16473 3/20 0.62
CYP1A2 P05177 2/20 0.62
NFKB1 P19838 2/20 0.62
CYP2D6 P10635 1/20 0.62
ADRB1 P08588 1/20 0.62
TDP1 Q9NUW8 4/20 0.60
PMP22 Q01453 1/20 0.59
LMNA P02545 2/20 0.53
CASP7 P55210 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BLM P54132 2/20 0.50
CASP1 P29466 1/20 0.50
MEN1 O00255 1/20 0.50
HSD17B10 Q99714 3/20 0.48

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
Hydrochloric Acid SCHEMBL11596685 0.86 TDP1 (0.61) ADRB2HIF1ATSHRCYP1A2NFKB1
SCHEMBL2585166 0.86 ADRB2 (0.59) ADRB2HIF1ATSHRCYP1A2NFKB1
SCHEMBL11596349 0.82 ADRB2 (0.48) ADRB2HIF1ATSHRCYP1A2NFKB1
Colterol SCHEMBL3207818 0.82 ADRB2 (0.72) ADRB2HIF1ATSHRCYP1A2NFKB1
Colterol SCHEMBL249585 0.82 ADRB2 (0.72) ADRB2HIF1ATSHRCYP1A2NFKB1
Colterol SCHEMBL3220142 0.82 ADRB2 (0.72) ADRB2HIF1ATSHRCYP1A2NFKB1
Albuterol SCHEMBL6838948 0.80 ADRB2 (0.87) ADRB2HIF1ATSHRCYP1A2NFKB1
SCHEMBL6711726 0.79 ADRB2 (0.68) ADRB2HIF1ATSHRCYP1A2NFKB1
SCHEMBL30438779 0.79 ADRB2 (0.68) ADRB2HIF1ATSHRCYP1A2NFKB1
SCHEMBL11097348 0.79 ADRB2 (0.57) ADRB2HIF1ATSHRCYP1A2NFKB1

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
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP claimed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP claimed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP claimed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO claimed
US-5399765-A Salt formation SEPRACOR, INC. (US) 1995-03-21 US claimed
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP disclosed
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP disclosed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP disclosed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP disclosed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
US-5399765-A Salt formation SEPRACOR, INC. (US) 1995-03-21 US disclosed
US-5399765-A Salt formation SEPRACOR, INC. (US) 1995-03-21 US disclosed