SCHEMBL24313798

SCHEMBL24313798

COC(=O)c1ccc(Oc2cnc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 7/20 0.43
DGAT1 O75907 1/20 0.43
LMNA P02545 1/20 0.42
PDE4B Q07343 2/20 0.40
SCN9A Q15858 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
HPGDS O60760 4/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ALPL P05186 1/20 0.35

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
SCHEMBL24313803 0.81 KDM4E (0.44) LIPEDGAT1SCN9ASCN10AHIF1A
SCHEMBL24313800 0.80 LMNA (0.46) LMNAPDE4BSCN9AHPGDSMAPK1
SCHEMBL24313817 0.79 LMNA (0.46) LMNAPDE4BSCN9AHPGDSMAPK1
SCHEMBL23474121 0.78 DGAT1 (0.43) LIPEDGAT1LMNAMAPK1
SCHEMBL4561669 0.77 SNCA (0.47) DGAT1HPGDSALPL
SCHEMBL3451006 0.77 ALOX15 (0.44) DGAT1HPGDSMAPK1HIF1AALPL
SCHEMBL1623079 0.76 PTPN11 (0.47) DGAT1PDE4BHIF1A
SCHEMBL29750908 0.76 PTPN11 (0.47) DGAT1PDE4BHIF1A
SCHEMBL31162850 0.72 HDAC1 (0.44) DGAT1LMNAHIF1A
SCHEMBL15774244 0.72 HDAC1 (0.44) DGAT1LMNAHIF1A

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-2022077161-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF GANNEX PHARMA CO., LTD. (CN) 2022-04-21 WO disclosed