SCHEMBL5679115

SCHEMBL5679115

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NQO1 P15559 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPEP Q07075 1/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5680729 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
SCHEMBL5679109 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL5679051 0.98 SLC2A1 (0.48) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
SCHEMBL5680946 0.98 SLC2A1 (0.48) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL5680830 0.98 SLC2A1 (0.48) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL5682780 0.98 SLC2A1 (0.48) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL7621586 0.97 SLC2A1 (0.50) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL5682907 0.97 SLC2A1 (0.50) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
Hydrochloric Acid SCHEMBL5682904 0.97 SLC2A1 (0.50) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1
SCHEMBL5679351 0.95 NQO1 (0.48) ALDH1A1KDM4ENQO1SMN1; SMN2SLC2A1

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