SCHEMBL27259397

SCHEMBL27259397

Cc1ccc2ccc(Oc3ccc(OCC(=O)O)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PTPN7 P35236 1/20 0.46
P2RY14 Q15391 1/20 0.43
PIK3CD O00329 1/20 0.43
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL13349554 0.87 L3MBTL1 (0.58) FFAR1MCL1L3MBTL1
SCHEMBL27259726 0.85 HTT (0.53) FFAR1KDM4EPTPN7NR4A1APEX1
SCHEMBL27259375 0.85 PTPN7 (0.43) FFAR1PTPN7SMN1; SMN2ALOX15ACACA
SCHEMBL27259343 0.84 PTPN7 (0.46) FFAR1PTPN7SMN1; SMN2ALOX15MEN1
SCHEMBL27259321 0.84 CTRC (0.47) PTPN7SMN1; SMN2ALOX15TDP1MEN1
SCHEMBL27259261 0.84 PTPN7 (0.46) PTPN7APEX1MCL1SMN1; SMN2ALOX15
SCHEMBL13316456 0.81 KMT2A (0.57) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL27259359 0.81 PPARD (0.49) FFAR1SMN1; SMN2
SCHEMBL27259460 0.80 MEN1 (0.52) PTPN7SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL10299391 0.78 PTPN7 (0.71) FFAR1KDM4EPTPN7NR4A1APEX1

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