SCHEMBL9538817

SCHEMBL9538817

O=C(Nc1ccccc1)N(O)CCOCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 2/20 0.48
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9584565 0.83 NPC1 (0.41) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL9584821 0.83 LMNA (0.53) LMNANPC1RAB9APOLBHPGD
SCHEMBL9585400 0.80 ALDH1A1 (0.39) LMNAALDH1A1MAPTTSHRHTT
SCHEMBL9542445 0.79 SLC1A3 (0.50) ALDH1A1MAPTTSHRHTTNPC1
SCHEMBL9539688 0.79 SLC1A3 (0.43) ALDH1A1TSHRHTTNPC1RAB9A
SCHEMBL9539802 0.77 ALDH1A1 (0.53) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL7611365 0.77 MEN1 (0.49) ALDH1A1MAPTNPSR1NPC1RAB9A
SCHEMBL9538825 0.76 SLC1A3 (0.42) ALDH1A1TSHRHTTNPC1RAB9A
SCHEMBL9541327 0.76 NPC1 (0.42) LMNAALDH1A1MAPTTSHRNPSR1
SCHEMBL9585067 0.75 MAPT (0.43) ALDH1A1MAPTTSHRHTTNPC1

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
WO-1993003719-A1 ARYLALKYLETHER AND ARYLALKYLTHIOETHER INHIBITORS OF LIPOXYGENASE ENZYME ACTIVITY ABBOTT LABORATORIES (US) 1993-03-04 WO claimed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed