SCHEMBL31246165

SCHEMBL31246165

CC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP9 P14780 1/20 0.38
ATM Q13315 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CDC25B P30305 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL31246231 0.84 SMYD2 (0.39)
SCHEMBL14296506 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1ATM
SCHEMBL17268485 0.81 LTA4H (0.42) SLC15A1ALDH1A1
SCHEMBL9956224 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1
SCHEMBL6496823 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1
SCHEMBL29627016 0.80 FAAH (0.49) ALDH1A1L3MBTL1
SCHEMBL23485565 0.79 RAB9A (0.40) ALDH1A1MAPK1L3MBTL1
SCHEMBL23455745 0.78 ITGB3 (0.50) ALDH1A1ATM
SCHEMBL23455744 0.78 ITGB3 (0.50) ALDH1A1ATM
SCHEMBL23485563 0.78 ABCB1 (0.36) ALDH1A1MAPK1L3MBTL1ABCB1

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