SCHEMBL9533567

SCHEMBL9533567

O=Cc1ccc(OCCN(CC(O)c2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
ALOX15 P16050 1/20 0.40
BACE1 P56817 3/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 3/20 0.37
NR1H4 Q96RI1 1/20 0.37
LAP3 P28838 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9534433 0.87 MEN1 (0.47) MEN1KMT2ACCR6PAX8ALOX15
SCHEMBL9533148 0.83 HPGD (0.57)
SCHEMBL9533108 0.83 HPGD (0.57)
SCHEMBL9533152 0.83 HPGD (0.44) MEN1KMT2A
SCHEMBL9536302 0.79 LTA4H (0.47) ALDH1A1LTA4HNR1H4CYP1A2CYP2D6
SCHEMBL9533458 0.78 FFAR1 (0.56)
SCHEMBL9533468 0.77 MEN1 (0.41) MEN1KMT2AALOX15
SCHEMBL20380518 0.74 RAB9A (0.54) CCR6PAX8NPC1RAB9ALTA4H
SCHEMBL4583955 0.72 KMT2A (0.54) MEN1KMT2AALOX15KDM4EALDH1A1
SCHEMBL4583951 0.72 KMT2A (0.54) MEN1KMT2AALOX15KDM4EALDH1A1

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
EP-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed