SCHEMBL1531737

SCHEMBL1531737

O=C(OCC#CCCl)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
NPC1 O15118 6/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
GSK3B P49841 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALOX15 P16050 2/20 0.46
GLA P06280 1/20 0.46
BRCA1 P38398 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL11302875 0.83 NPC1 (0.51) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL9250225 0.80 NPC1 (0.58) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL6379829 0.80 NPC1 (0.55) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL6830087 0.80 NPC1 (0.58) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL23681183 0.79 NPC1 (0.54) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL11745725 0.74 TDP1 (0.45) MAPTALDH1A1HPGDLMNAKMT2A
SCHEMBL1433300 0.74 NPC1 (0.60) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL1531760 0.73 KDM4E (0.58) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL7757826 0.73 NPC1 (0.58) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL422787 0.73 RAB9A (0.62) MAPTNPC1ALDH1A1HPGDRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011028651-A1 INHIBITORS OF HUMAN 15-LIPOXYGENASE-1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-03-10 WO disclosed