SCHEMBL31065987

SCHEMBL31065987

C=C(Cc1cccc(C=O)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.33
ERN1 O75460 2/20 0.33
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SSTR4 P31391 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
SCHEMBL31065882 0.73 ERN1 (0.39) ERN1TLR2TLR1TLR6CA1
SCHEMBL27166994 0.72 NPC1 (0.42)
SCHEMBL2947290 0.71 ERN1 (0.39) ERN1TLR2TLR1TLR6CA1
SCHEMBL1619349 0.69 ERN1 (0.44) ERN1TLR2TLR1TLR6CA1
SCHEMBL4976027 0.68 CES1 (0.44) CA1
SCHEMBL29262005 0.68 MEN1 (0.36) ERN1TLR2TLR1TLR6CA1
SCHEMBL31166817 0.68 RXFP1 (0.44) ERN1
SCHEMBL17858390 0.67 ERN1 (0.40) ERN1TLR2TLR1TLR6CA1
SCHEMBL25972038 0.66 MTNR1A (0.49) GPR119
SCHEMBL2139973 0.66 ERN1 (0.46) ERN1TLR2TLR1TLR6CA1

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-4673139-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182742-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed