SCHEMBL30777875

SCHEMBL30777875

Cn1c(=O)c2cc(O)ccc2c2ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
TTR P02766 1/20 0.49
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ESR1 P03372 5/20 0.41
ESR2 Q92731 4/20 0.41
ESRRA P11474 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE2A O00408 1/20 0.41
WEE1 P30291 1/20 0.40
DAO P14920 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
SCHEMBL26768260 1.00 CYP2C9 (0.50) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26767545 0.90 TTR (0.48) CYP2C9HCAR2TTREGFRSRC
SCHEMBL13816831 0.89 CYP2C9 (0.48) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26777410 0.88 ESR1 (0.46) CYP2C9HCAR2TTRBCHEACHE
SCHEMBL26767555 0.88 TTR (0.52) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26775886 0.84 TTR (0.49) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26768903 0.84 TTR (0.46) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26775899 0.82 TTR (0.42) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26775898 0.82 TTR (0.42) CYP2C9HCAR2TTREGFRSRC
SCHEMBL26775867 0.82 CYP2C9 (0.42) CYP2C9HCAR2TTREGFRSRC

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-4712958-A2 USE OF UROLITHIN DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Vandria SA (CH) 2026-03-25 EP disclosed
EP-4561556-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES Vandria SA (CH) 2025-06-04 EP disclosed
WO-2024236367-A2 USE OF UROLITHIN DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS VANDRIA SA (CH) 2024-11-21 WO disclosed
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 WO disclosed