SCHEMBL2564693

SCHEMBL2564693

O=C(NCCOCCCCCCN1C(=O)c2ccccc2C1=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ACHE P22303 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
TGM2 P21980 1/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47

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
SCHEMBL29262775 0.91 LMNA (0.71) LMNASMN1; SMN2L3MBTL1HTTTPSAB1
SCHEMBL8861893 0.83 HTT (0.54) SMN1; SMN2ACHEHTTHDAC8HDAC3
SCHEMBL966830 0.83 TDP1 (0.60) LMNASMN1; SMN2ACHEL3MBTL1HTT
SCHEMBL2567987 0.81 TDP1 (0.61) SMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL2565857 0.81 TDP1 (0.61) SMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL2567938 0.81 TDP1 (0.61) SMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL20492122 0.80 TDP1 (0.65) SMN1; SMN2ACHEL3MBTL1TDP1
SCHEMBL7372302 0.80 SMN1; SMN2 (1.00) LMNASMN1; SMN2L3MBTL1HTTTGM2
SCHEMBL18951926 0.80 LMNA (0.53) LMNASMN1; SMN2ACHEHTTALDH1A1
SCHEMBL30823376 0.79 SMN1; SMN2 (0.97) LMNASMN1; SMN2L3MBTL1HTTTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 WO disclosed