SCHEMBL2585539

SCHEMBL2585539

C=CC=CC=CC(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRIK3 Q13003 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2585537 1.00 TP53 (0.32) TP53MEN1KMT2AGRIK1GRIK2
SCHEMBL4905015 0.91
SCHEMBL18326997 0.91
SCHEMBL5177494 0.91
SCHEMBL9034035 0.80
SCHEMBL7164919 0.80 GABRP (0.32)
SCHEMBL3760042 0.80 GABRP (0.32)
SCHEMBL9034041 0.80
SCHEMBL9055419 0.77 ACHE (0.33)
SCHEMBL9055427 0.77 ACHE (0.33)

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
CN-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
EP-2566850-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE HYDROBROMIDE SALT RICHTER GEDEON NYRT (HU) 2018-04-11 EP disclosed
EP-2566850-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS Richter Gedeon Nyrt. (HU) 2013-03-13 EP disclosed
WO-2011138625-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS RICHTER GEDEON NYRT. (HU) 2011-11-10 WO disclosed