SCHEMBL30950122

SCHEMBL30950122

COC(=O)c1c(C=O)cnn1COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.33
DGAT1 O75907 7/20 0.33
ERN1 O75460 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KLKB1 P03952 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
SCHEMBL30950092 0.88 F2RL1 (0.33) F2RL1NPC1
SCHEMBL15509075 0.83 KMT2A (0.40) F2RL1DGAT1NPC1MAPTALDH1A1
SCHEMBL21296458 0.83 F2RL1 (0.33) F2RL1DGAT1NPC1MAPTALDH1A1
SCHEMBL21296485 0.82 GAA (0.40) ALDH1A1
SCHEMBL22792091 0.81 F2RL1 (0.32) F2RL1DGAT1NPC1MAPT
SCHEMBL31222394 0.80 HTT (0.35) F2RL1DGAT1NPC1MAPTALDH1A1
SCHEMBL30949913 0.78 MAPT (0.38) DGAT1MAPTALDH1A1
SCHEMBL613611 0.74 F2RL1 (0.32) F2RL1
SCHEMBL18159437 0.74 F2RL1 (0.34) F2RL1DGAT1NPC1KLKB1
SCHEMBL2430654 0.72 DGAT1 (0.37) F2RL1DGAT1KLKB1

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-2024153180-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2024-07-25 WO disclosed