SCHEMBL31605004

SCHEMBL31605004

CCOC(=O)c1c(C)oc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.71
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ POLB P06746 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ LDHA P00338 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL31604843 0.82 PTGS2 (0.66) PTGS2ALDH1A1LMNAMAPK1POLB
SCHEMBL18516741 0.80 PTGS2 (0.76) PTGS2ALDH1A1LMNAMAPK1POLB
SCHEMBL28654740 0.80 PTGS2 (0.85) PTGS2ALDH1A1LMNAMAPK1POLB
SCHEMBL23220454 0.79 POLB (0.83) ALDH1A1LMNAPOLBMAPTL3MBTL1
SCHEMBL30899145 0.76 KMT2A (0.59) LMNAMAPK1POLBMAPTL3MBTL1
SCHEMBL19057715 0.74 MAPT (0.79) PTGS2ALDH1A1LMNAPOLBMAPT
SCHEMBL18519092 0.74 LMNA (0.86) ALDH1A1LMNAPOLBMAPTL3MBTL1
SCHEMBL18516845 0.74 RXFP1 (0.66) PTGS2LMNAMAPK1POLBMAPT
SCHEMBL31474441 0.74 ALDH1A1 (0.71) PTGS2ALDH1A1LMNAMAPK1POLB
SCHEMBL26676588 0.74 ALDH1A1 (0.71) PTGS2ALDH1A1LMNAMAPK1POLB

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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