SCHEMBL27259359

SCHEMBL27259359

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.49
PPARA Q07869 1/20 0.49
PTPN1 P18031 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
PPARG P37231 1/20 0.45
SCN7A Q01118 3/20 0.45
KCNH2 Q12809 3/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
FFAR1 O14842 1/20 0.44
SCN9A Q15858 2/20 0.43
SCN10A Q9Y5Y9 1/20 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
SCHEMBL27259343 0.84 PTPN7 (0.46) SMN1; SMN2EGLN1PPARGFFAR1
SCHEMBL27259397 0.81 FFAR1 (0.47) SMN1; SMN2FFAR1
SCHEMBL27259261 0.81 PTPN7 (0.46) PPARDSMN1; SMN2EGLN1
SCHEMBL27259321 0.81 CTRC (0.47) SMN1; SMN2EGLN1PTGDR2
SCHEMBL10944778 0.81 LMNA (0.62) SMN1; SMN2EGLN1
SCHEMBL27259375 0.79 PTPN7 (0.43) SMN1; SMN2EGLN1FFAR1
SCHEMBL27259361 0.79 PPARD (0.44) PPARDPPARASMN1; SMN2PTGDR2SCN9A
SCHEMBL10946840 0.78 PPARD (0.63) PPARDPPARAPTPN1SMN1; SMN2PPARG
SCHEMBL27259460 0.77 MEN1 (0.52) SMN1; SMN2PTGDR2
SCHEMBL27259368 0.77 PDE4B (0.52) PTPN1SMN1; SMN2EGLN1FFAR1

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