SCHEMBL30028650

SCHEMBL30028650

COc1cc(C(=O)O)ncc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
P4HTM Q9NXG6 5/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
ASPH Q12797 2/20 0.44
KDM8 Q8N371 2/20 0.44
KMO O15229 3/20 0.42
ECE1 P42892 2/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL1425220 1.00 GPR35 (0.50) GPR35KDM4EL3MBTL1P4HTMALOX15
SCHEMBL1425031 0.98 GPR35 (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15
Hydrochloric Acid SCHEMBL26638664 0.98 GPR35 (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15
Potassium SCHEMBL1425033 0.98 GPR35 (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15
SCHEMBL29368707 0.85 GPR35 (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15
SCHEMBL18009392 0.85 GPR35 (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15
SCHEMBL23714349 0.84 MAPK1 (0.47) KDM4EL3MBTL1P4HTMMAPK1PKM
SCHEMBL30111868 0.84 MAPK1 (0.47) KDM4EL3MBTL1P4HTMMAPK1PKM
Potassium Ion SCHEMBL1425032 0.82 GRM4 (0.38) GPR35KDM4EL3MBTL1P4HTMALOX15
SCHEMBL21045825 0.81 HTT (0.49) GPR35KDM4EL3MBTL1P4HTMALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
EP-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
WO-2022225941-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed