SCHEMBL30809607

SCHEMBL30809607

CC(O)c1ccc(F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GCGR P47871 4/20 0.40
PDE2A O00408 2/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KCNH2 Q12809 1/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL27090084 1.00 CA3 (0.48) CA3CA6CA5ACA9CA14
SCHEMBL9888665 0.84 LMNA (0.59) CA3CA6CA5ACA9CA14
SCHEMBL11242260 0.84 CA3 (0.50) CA3CA6CA5ACA9CA14
SCHEMBL16946707 0.83 CA3 (0.43) CA3CA6CA5ACA9CA14
SCHEMBL3309885 0.83 CA3 (0.43) CA3CA6CA5ACA9CA14
SCHEMBL29453648 0.80 CES2 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL1998132 0.80 CES2 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL17947416 0.80 CES2 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL15853708 0.80 CES2 (0.52) CA3CA6CA5ACA9CA14
SCHEMBL24869041 0.78 MEN1 (0.41) CA3CA6CA5ACA9CA14

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 5 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-4561976-A2 UROLITHIN AND FLUORENE DERIVATIVES FOR INHIBITING FERROPTOSIS Vandria SA (CH) 2025-06-04 EP disclosed
CN-119948002-A Urolithin derivatives and therapeutic use 范徳利亚股份公司 2025-05-06 CN disclosed
WO-2024236367-A2 USE OF UROLITHIN DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS VANDRIA SA (CH) 2024-11-21 WO disclosed
WO-2024023585-A2 UROLITHIN DERIVATIVES AND THERAPEUTIC USES VANDRIA SA (CH) 2024-02-01 WO disclosed