SCHEMBL20615327

SCHEMBL20615327

COc1cc(NC=O)ccc1OCC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.44
▸ TUBB1 Q9H4B7 1/20 0.44
▸ GAA P10253 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ G6PD P11413 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL1486263 0.85 GAA (0.54) GAAKDM4ELMNAPOLBCYP1A2
SCHEMBL17723954 0.77 ACHE (0.59) FDPSTUBB1KDM4ELMNAPOLB
SCHEMBL10134070 0.77 ALDH1A1 (0.44) GAALMNAMAPTALDH1A1TSHR
SCHEMBL17941258 0.76 FDPS (0.75) FDPSKDM4ELMNAPOLBCYP1A2
SCHEMBL21305440 0.74 TTR (0.61) GAAKDM4ELMNAPOLBRAB9A
SCHEMBL5002325 0.74 ALDH1A1 (0.71) GAAKDM4ELMNAPOLBMAPT
SCHEMBL4466531 0.73 SMN1; SMN2 (0.55) GAALMNAPOLBMAPTNPC1
SCHEMBL5638416 0.73 TUBB1 (0.46) TUBB1GAAKDM4ELMNAPOLB
SCHEMBL12555538 0.73 GRM4 (0.47) GAAKDM4ELMNAPOLBMAPT
SCHEMBL8022330 0.73 ALDH1A1 (0.50) GAAKDM4ELMNAPOLBMAPT

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-3612188-B1 HETEROBIVALENT LIGANDS SUITABLE FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE T C ISTANBUL MEDIPOL UNIV (TR) 2023-12-13 — — EP disclosed
WO-2019004970-A2 HETEROBIVALENT LIGANDS SUITABLE FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE T.C. İSTANBUL MEDİPOL ÜNİVERSİTESİ (TR) 2019-01-03 — — WO disclosed
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