SCHEMBL31440647

SCHEMBL31440647

Cn1cc(Br)c2cc(C(=O)O)n(COCC[Si](C)(C)C)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
KLKB1 P03952 1/20 0.35
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DGAT1 O75907 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
SCHEMBL31440613 0.90 NPC1 (0.46) NPC1KLKB1MAPTALDH1A1DGAT1
SCHEMBL31440592 0.89 NPC1 (0.41) NPC1MAPTALDH1A1DGAT1
SCHEMBL31440609 0.89 NPC1 (0.39) NPC1KLKB1MAPTALDH1A1
SCHEMBL23233778 0.87 NPC1 (0.38) NPC1MAPTALDH1A1
SCHEMBL31440547 0.83 NPC1 (0.39) NPC1MAPTDGAT1
SCHEMBL31440587 0.81 NPC1 (0.36) NPC1DGAT1
SCHEMBL31440604 0.80 NPC1 (0.36) NPC1DGAT1
SCHEMBL31440601 0.80 NPC1 (0.36) NPC1DGAT1
SCHEMBL17963312 0.77 NPC1 (0.35) NPC1KLKB1DGAT1
SCHEMBL31440576 0.75 NPC1 (0.33) NPC1

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-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed