SCHEMBL9538802

SCHEMBL9538802

OCc1ccc(Sc2ccc(Cl)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GLA P06280 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NOTUM Q6P988 2/20 0.33
CHRNA7 P36544 1/20 0.33
PTGIR P43119 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ICAM1 P05362 1/20 0.32

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
SCHEMBL13067234 0.82 DHFR (0.36) MEN1KMT2AMAOAMAOBNPSR1
SCHEMBL9539723 0.81 POLB (0.40) RHEBMEN1KMT2AMAPTHPGD
SCHEMBL9724093 0.81 MEN1 (0.33) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL13026621 0.78 HPGD (0.37) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL19259920 0.77 POLB (0.37) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL28649609 0.77 ICAM1 (0.39) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL9724079 0.75 ALOX5 (0.42) MAPTNPSR1HTTICAM1SELE
SCHEMBL6382520 0.72 MAOA (0.38) MEN1KMT2AMAPTALDH1A1MAOA
SCHEMBL6486705 0.70 PKM (0.53) RHEBHPGDALDH1A1HAO1USP7
SCHEMBL19274531 0.70 GAA (0.44) MEN1KMT2AMAPTHPGDALDH1A1

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 disclosed
US-5183818-A Also for inhibiting leukotriene biosynthesis ABBOTT LABORATORIES (US) 1993-02-02 US disclosed