SCHEMBL46226

SCHEMBL46226

CCOC(=O)CNC(=O)S/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)COC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 8/20 0.51
ITGB2 P05107 1/20 0.51
ITGAM P11215 1/20 0.51
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 5/20 0.42
POLB P06746 4/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL683064 0.68 SLC1A3 (1.00) SLC1A3ITGB2ITGAMKDM4EPOLB
SCHEMBL2559322 0.66 POLB (0.60) SLC1A3ITGB2ITGAMSTAT3KDM4E
SCHEMBL46230 0.66 MAPT (0.50) ITGB2ITGAMKDM4EPOLBALDH1A1
SCHEMBL14363094 0.64 L3MBTL1 (0.50) SLC1A3ITGB2ITGAMSTAT3KDM4E
SCHEMBL29494140 0.61 SLC1A3 (0.79) SLC1A3ITGB2ITGAMSTAT3KDM4E
SCHEMBL1430422 0.61 STAT3 (1.00) SLC1A3ITGB2ITGAMSTAT3KDM4E
SCHEMBL5145237 0.59 SLC1A3 (1.00) SLC1A3ITGB2ITGAMKDM4EPOLB
SCHEMBL5145242 0.59 SLC1A3 (1.00) SLC1A3ITGB2ITGAMKDM4EPOLB
SCHEMBL14472234 0.59 TP53 (0.58) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL14472233 0.59 TP53 (0.58) KDM4EPOLBALDH1A1MAPTTDP1

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-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed