SCHEMBL8411302

SCHEMBL8411302

CC=C(c1ccccc1C(=O)O)C1CCc2ccccc2S1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CPB1 P15086 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
PIN1 Q13526 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ACE P12821 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL8411297 1.00 ALDH1A1 (0.37) ALDH1A1ALOX15KDM4EHSD17B10CPB1
SCHEMBL30988910 0.80 MAPT (0.44) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL8464052 0.80 MAPT (0.44) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL7949972 0.76 MAPT (0.44) ALDH1A1KDM4EHSD17B10MAPTPKM
SCHEMBL30522632 0.72 SIGMAR1 (0.40) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL8818299 0.72 ALDH1A1 (0.43) ALDH1A1SIGMAR1NPC1RAB9AMAPT
SCHEMBL7949940 0.71 SMYD3 (0.46) ALDH1A1ALOX15CPB1MAPTKMT2A
SCHEMBL7952329 0.71 HSD11B1 (0.43) ALDH1A1ALOX15HSD17B10NPC1RAB9A
SCHEMBL7599608 0.67 MAPT (0.54) ALDH1A1KDM4EHSD17B10SIGMAR1NPC1
SCHEMBL31316696 0.67 MAPT (0.54) ALDH1A1KDM4EHSD17B10SIGMAR1NPC1

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
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP claimed