SCHEMBL21281237

SCHEMBL21281237

Cc1nc2cccc(OCC(C)(C)C(=O)NC3CCCc4c(O)cccc43)c2c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 4/20 0.41
▸ TAS1R1 Q7RTX1 4/20 0.41
▸ TAS1R2 Q8TE23 4/20 0.41
▸ SSTR4 P31391 9/20 0.39
▸ SSTR1 P30872 3/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ HSD17B2 P37059 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL621576 0.92 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2SSTR4LIPG
SCHEMBL621324 0.84 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2SSTR4CA1
SCHEMBL31670266 0.84 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2SSTR4CA1
SCHEMBL618199 0.83 SSTR4 (0.40) SSTR4SSTR1
SCHEMBL626629 0.83 SSTR4 (0.48) SSTR4SSTR1
SCHEMBL619016 0.83 SSTR4 (0.48) SSTR4SSTR1
SCHEMBL622154 0.83 SSTR4 (0.50) SSTR4SSTR1
SCHEMBL2512535 0.83 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2SSTR4LIPG
SCHEMBL627248 0.82 SSTR4 (0.48) SSTR4SSTR1
SCHEMBL626291 0.82 SSTR4 (0.48) SSTR4SSTR1

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
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 — — EP disclosed
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