SCHEMBL8089924

SCHEMBL8089924

CC(C)(C)Nc1c(CCO)ccc(O)c1CO

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.34
ADRB2 P07550 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRB1 P08588 1/20 0.33
IDO1 P14902 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.31
PMP22 Q01453 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4435720 0.80 PMP22 (0.34) HIF1APMP22LMNA
SCHEMBL594098 0.67 ADRB2 (0.44) KLF10ADRB2HIF1ACYP1A2CYP2D6
SCHEMBL30169480 0.67 ADRB2 (0.44) KLF10ADRB2HIF1ACYP1A2CYP2D6
SCHEMBL28218010 0.66 IDO1 (0.44) KLF10TSHRADRB1IDO1TDP1
SCHEMBL2639710 0.65 KDM4E (0.40) TDP1KDM4EALDH1A1ALOX5GAA
SCHEMBL28341725 0.63 IDO1 (0.42) CYP1A2ADRB1IDO1TDP1ALDH1A1
SCHEMBL28583804 0.63 IDO1 (0.35) IDO1
SCHEMBL35629 0.63 KDM4E (0.50) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL29366321 0.63 KDM4E (0.50) ADRB2HIF1ACYP1A2CYP2D6TSHR
SCHEMBL29435088 0.62 ALDH1A1 (0.39) KLF10HIF1ACYP1A2TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056740-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ENRICHED (R)- OR (S)-ALBUTEROL Fine Chemicals Corporation (Proprietary) Limited (ZA) 2000-12-06 EP disclosed
WO-1999042460-A9 PROCESS FOR THE PRODUCTION OF OPTICALLY ENRICHED (R)- OR (S)-ALBUTEROL FINE CHEMICALS CORP PROPRIETAR (ZA) 2000-03-02 WO disclosed
WO-1999042460-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ENRICHED (R)- OR (S)-ALBUTEROL FINE CHEMICALS CORPORATION (PROPRIETARY) LIMITED (ZA) 1999-08-26 WO disclosed
EP-0695178-A1 MANAGEMENT OF CHOLELITHIASIS WITH BETA-2-AGONISTS WRIGHT, George Henry (GB) 1996-02-07 EP disclosed
WO-1994025014-A1 MANAGEMENT OF CHOLELITHIASIS WITH BETA-2-AGONISTS WRIGHT GEORGE HENRY (GB) 1994-11-10 WO disclosed