SCHEMBL31246228

SCHEMBL31246228

COC(=O)c1cc(Cl)ccc1OCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR4 O95977 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41

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
SCHEMBL6420140 0.94 S1PR4 (0.47) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL31246170 0.88 GAA (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL16146836 0.87 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL13125216 0.81 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2AS1PR4
SCHEMBL16146968 0.81 NPC1 (0.43) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1154092 0.79 KDM4E (0.54) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2796366 0.79 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1LMNAS1PR4
SCHEMBL2799514 0.78 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1505120 0.78 S1PR4 (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6421995 0.78 SLC6A4 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAMEN1

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-4713320-A2 BCAT2 INHIBITORS Agios Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
WO-2024238820-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2024-11-21 WO disclosed