SCHEMBL14201709

SCHEMBL14201709

O=S(=O)(O)c1cccc2c(NCCCO)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TTR P02766 1/20 0.46
CYP19A1 P11511 1/20 0.41
NSD2 O96028 1/20 0.40
FGB P02675 1/20 0.40
MMP14 P50281 1/20 0.40
CYP1A2 P05177 2/20 0.40
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
CDC25A P30304 1/20 0.39
HTT P42858 1/20 0.39
TERT O14746 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 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
SCHEMBL5022978 0.87 CNR1 (0.49) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL5016478 0.87 CNR1 (0.52) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL6254 0.83 CA12 (0.54) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL15282372 0.83 TTR (0.47) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL29349851 0.83 CA12 (0.54) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL18270521 0.82 TTR (0.46) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL3384286 0.82 CA12 (0.53) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL3384278 0.82 CA12 (0.53) ALDH1A1MAPTKDM4ETSHRHSD17B10
SCHEMBL12221061 0.82 TTR (0.46) ALDH1A1MAPTKDM4EGAAHPGD
Hydrochloric Acid SCHEMBL14833086 0.82 TSHR (0.55) ALDH1A1MAPTKDM4ETSHRHSD17B10

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
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed