SCHEMBL27259261

SCHEMBL27259261

O=C(O)COc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.46
MCL1 Q07820 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAP4K4 O95819 1/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
APEX1 P27695 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGLN1 Q9GZT9 2/20 0.43

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
SCHEMBL27259274 0.91 PTPN7 (0.44) PTPN7MCL1TDP1MAP4K4MAPT
SCHEMBL18579883 0.85 ALDH1A1 (0.55) PTPN7MCL1TDP1MAP4K4MAPT
SCHEMBL27259682 0.85 ALDH1A1 (0.60) PTPN7MCL1TDP1MAP4K4MAPT
SCHEMBL27259321 0.84 CTRC (0.47) PTPN7TDP1ALOX15ALDH1A1SMN1; SMN2
SCHEMBL27259343 0.84 PTPN7 (0.46) PTPN7ALOX15ALDH1A1SMN1; SMN2EGLN1
SCHEMBL27259397 0.84 FFAR1 (0.47) PTPN7MCL1TDP1ALOX15APEX1
SCHEMBL27259315 0.84 EGLN1 (0.43) PTPN7MCL1TDP1MAP4K4ALOX15
SCHEMBL27259375 0.82 PTPN7 (0.43) PTPN7ALOX15ALDH1A1SMN1; SMN2EGLN1
SCHEMBL27259359 0.81 PPARD (0.49) SMN1; SMN2EGLN1PPARD
SCHEMBL27259460 0.80 MEN1 (0.52) PTPN7TDP1MAPTALDH1A1LMNA

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-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed