SCHEMBL30543727

SCHEMBL30543727

COc1cc(F)c(B2OC(C)(C)C(C)(C)O2)c(C2CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.32
SNCA P37840 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL25367275 1.00 TAAR1 (0.32) TAAR1SNCALPLLIPGHTR7
SCHEMBL2524790 0.85 TAAR1 (0.39) TAAR1SNCALPLLIPG
SCHEMBL26062457 0.78 TAAR1 (0.30) TAAR1
SCHEMBL31405030 0.78 EGFR (0.35) TAAR1SNCALPLLIPG
SCHEMBL17258925 0.73 EGFR (0.35) HTR2B
SCHEMBL21296157 0.73 LPL (0.37) LPLLIPG
SCHEMBL12078593 0.71 PARP10 (0.36)
SCHEMBL12078361 0.70 FFAR4 (0.37)
SCHEMBL25368043 0.70 TAAR1 (0.38) TAAR1
SCHEMBL5899744 0.70 CA1 (0.38) SNCALPLLIPGHTR7HTR2B

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-4479045-A2 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-12-25 EP disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed