SCHEMBL30488306

SCHEMBL30488306

COC(=O)c1ccc(OC(C)C)c(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.54
LMNA P02545 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
MAPT P10636 1/20 0.44

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
SCHEMBL1807138 1.00 XDH (0.54) XDHLMNAS1PR1S1PR3MAPT
SCHEMBL932740 0.88 XDH (0.54) XDHS1PR1S1PR3
SCHEMBL24860790 0.87 MAPT (0.43) XDHLMNAS1PR1S1PR3MAPT
SCHEMBL8148281 0.86 CA1 (0.52) XDHLMNAMAPT
SCHEMBL31139622 0.85 MAPT (0.44) XDHLMNAMAPT
SCHEMBL28956905 0.85 MAPT (0.44) XDHLMNAMAPT
SCHEMBL30603423 0.85 XDH (0.67) XDH
SCHEMBL28323507 0.85 XDH (0.56) XDHS1PR1S1PR3
SCHEMBL403398 0.85 XDH (0.67) XDH
SCHEMBL28140004 0.85 ALDH1A1 (0.52) XDHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444697-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-10-16 EP disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed