SCHEMBL21078911

SCHEMBL21078911

Cc1cc(C(=O)O)ncc1OCCI

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ASPH Q12797 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM8 Q8N371 2/20 0.37
P4HTM Q9NXG6 7/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL21078949 0.84 MAPT (0.42) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL15350374 0.81 ASPH (0.41) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL15350397 0.78 KDM4E (0.40) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL15350001 0.77 ASPH (0.46) KDM4EASPHL3MBTL1KDM8ALDH1A1
SCHEMBL15350838 0.76 ASPH (0.42) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL15351261 0.76 KMO (0.48)
SCHEMBL11894710 0.74 KMO (0.46) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL7083217 0.73 KDM4E (0.50) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL31032278 0.73 KDM4E (0.41) KDM4EASPHL3MBTL1MAPK1KDM8
SCHEMBL29272155 0.73 KDM4E (0.41) KDM4EASPHL3MBTL1MAPK1KDM8

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-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed