SCHEMBL27745864

SCHEMBL27745864

CC(CCCCOCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 4/20 0.41
MMP8 P22894 4/20 0.41
MMP9 P14780 3/20 0.41
MMP1 P03956 3/20 0.39
TSHR P16473 1/20 0.39
MGLL Q99685 1/20 0.37
CTSB P07858 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GBA1 P04062 1/20 0.36
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL27130977 0.90 L3MBTL1 (0.39) L3MBTL1TDP1MMP3MMP8MMP9
SCHEMBL27032141 0.90 L3MBTL1 (0.39) L3MBTL1TDP1MMP3MMP8MMP9
SCHEMBL29239476 0.90 TSHR (0.42) L3MBTL1TDP1TSHRCTSBHTT
SCHEMBL27032552 0.84 TSHR (0.38) L3MBTL1TDP1TSHRCTSBHTT
SCHEMBL27130708 0.84 TSHR (0.38) L3MBTL1TDP1TSHRCTSBHTT
SCHEMBL17796108 0.80 TSHR (0.45) MMP3MMP9TSHRHTTSMN1; SMN2
SCHEMBL10473393 0.80 POLB (0.47) ALDH1A1
SCHEMBL10406021 0.80 POLB (0.47) ALDH1A1
SCHEMBL17796120 0.80 TSHR (0.45) MMP3MMP9TSHRHTTSMN1; SMN2
SCHEMBL7357942 0.80 POLB (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432268-B 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB 2011-02-16 CN disclosed
CN-101432268-A 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB (ES) 2009-05-13 CN disclosed