SCHEMBL27333373

SCHEMBL27333373

COc1ccccc1N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1OCCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.38
AAK1 Q2M2I8 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CA P42336 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LIPE Q05469 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL30993813 1.00 GPBAR1 (0.38) GPBAR1AAK1RAB9AL3MBTL1PIK3CA
SCHEMBL3336379 0.91 GPBAR1 (0.38) GPBAR1AAK1RAB9AL3MBTL1MAPT
SCHEMBL27333195 0.85 BCHE (0.38) GPBAR1AAK1POLB
SCHEMBL30993817 0.85 BCHE (0.38) GPBAR1AAK1POLB
SCHEMBL3340863 0.85 AAK1 (0.34) GPBAR1AAK1MAPTALDH1A1SMN1; SMN2
SCHEMBL19548416 0.85 AAK1 (0.34) GPBAR1AAK1MAPTALDH1A1SMN1; SMN2
SCHEMBL30993851 0.83 GPBAR1 (0.42) GPBAR1RAB9AL3MBTL1PIK3CAMAPT
SCHEMBL19548414 0.77 AAK1 (0.32) AAK1LIPE
SCHEMBL3338200 0.77 MAPT (0.41) GPBAR1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL3342113 0.76 AAK1 (0.35) AAK1L3MBTL1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129600-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRHR) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. (US) 2024-06-20 WO disclosed