SCHEMBL29987343

SCHEMBL29987343

C[Si](C)(C)CCOCn1ncc2c(CCC(=O)O)cc(Cl)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ F2RL1 P55085 1/20 0.32
▸ KMO O15229 4/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 2/20 0.31
▸ RXRG P48443 2/20 0.31
▸ PTGER1 P34995 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ GPR17 Q13304 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
SCHEMBL27077732 0.89 NPC1 (0.33) NPC1F2RL1
SCHEMBL27077756 0.85 NPC1 (0.31) NPC1
SCHEMBL27077669 0.84 KDM4E (0.33) NPC1F2RL1S1PR1PTGER1
SCHEMBL29987696 0.83 NPC1 (0.41) NPC1
SCHEMBL27077783 0.82 F2RL1 (0.32) NPC1F2RL1
SCHEMBL27077653 0.81 NPC1 (0.31) NPC1
SCHEMBL27435461 0.80 — —
SCHEMBL27077755 0.79 NPC1 (0.33) NPC1S1PR1
SCHEMBL31104326 0.70 ALDH1A1 (0.36) NPC1F2RL1S1PR1
SCHEMBL21521058 0.69 HTT (0.49) NPC1S1PR1

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-4313300-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-02-07 — — EP disclosed
WO-2022207752-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2022-10-06 — — WO disclosed
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