SCHEMBL8077438

SCHEMBL8077438

CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
ADRB2 P07550 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PTGER1 P34995 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CASP7 P55210 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL14080487 0.91 ADRB2 (0.48) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL4670569 0.91 ADRB2 (0.48) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL11596019 0.91 ADRB2 (0.47) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL14080472 0.91 ADRB2 (0.48) ADRB1ADRB3ADRB2KDM4EALDH1A1
Cadaverine Tartrate SCHEMBL14080565 0.87 F2 (0.46) ADRB1ADRB3ADRB2KDM4EALDH1A1
SCHEMBL11597255 0.85 FOLH1 (0.52) FOLH1ADRB1ADRB3ADRB2KDM4E
SCHEMBL11596349 0.83 ADRB2 (0.48) ADRB1ADRB2ALDH1A1KMT2ALMNA
SCHEMBL12158787 0.83 ADRB2 (0.58) ADRB1ADRB2LMNATSHRHIF1A
SCHEMBL12158808 0.83 ADRB2 (0.58) ADRB1ADRB2LMNATSHRHIF1A
SCHEMBL4667082 0.83 ADRB2 (0.58) ADRB1ADRB2LMNATSHRHIF1A

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 6 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-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-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
US-5545745-A DISSOLVING MIXTURE OF METHYL-5(2-(1,1-DIMETHYLETHYL)AMINO)-1-HYROXYETHYL)-2-(PHENYL -METHOXY)BENZOATE AND A CHIRAL ACID, SALT FORMATION, COOLING, NEUTRALIZING SALT WITH BASE, REDUCTION, DEBENZYLATION SEPRACOR, INC. (US) 1996-08-13 US disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed