SCHEMBL5680946

SCHEMBL5680946

CCOc1ccc(OCCCCC[C@@H](N)CS)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NQO1 P15559 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR5A1 Q13285 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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 SCHEMBL5682907 0.98 SLC2A1 (0.50) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL7621586 0.98 SLC2A1 (0.50) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL5682904 0.98 SLC2A1 (0.50) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
SCHEMBL5679109 0.98 ALDH1A1 (0.49) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
SCHEMBL5679115 0.98 ALDH1A1 (0.49) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
SCHEMBL5680729 0.98 ALDH1A1 (0.49) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL5680830 0.97 SLC2A1 (0.48) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL5682780 0.97 SLC2A1 (0.48) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
Hydrochloric Acid SCHEMBL5679051 0.97 SLC2A1 (0.48) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2
SCHEMBL7789186 0.93 NQO1 (0.48) SLC2A1ALDH1A1KDM4ENQO1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP disclosed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed