SCHEMBL9541327

SCHEMBL9541327

CCCOC(=O)NC(=O)N(O)CCOCc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
ESR1 P03372 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35

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 0.82 NPC1 (0.41) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL9539802 0.81 ALDH1A1 (0.53) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL9539688 0.78 SLC1A3 (0.43) NPC1RAB9APOLBALDH1A1TSHR
SCHEMBL9585400 0.76 ALDH1A1 (0.39) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9538817 0.76 LMNA (0.48) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9538825 0.75 SLC1A3 (0.42) NPC1RAB9APOLBALDH1A1TSHR
SCHEMBL9542445 0.75 SLC1A3 (0.50) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9584821 0.74 LMNA (0.53) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9585067 0.74 MAPT (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL9541331 0.74 TRPM8 (0.40) NPC1RAB9AMEN1KMT2ACTDSP1

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