SCHEMBL27515306

SCHEMBL27515306

O=C(O)C[C@@H](c1ccc(C[SH](=O)=O)c(Cl)c1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.45
▸ SLC6A3 Q01959 5/20 0.38
▸ PTGS2 P35354 2/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ FFAR2 O15552 1/20 0.35
▸ METAP2 P50579 2/20 0.34

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
SCHEMBL27552958 0.89 SLC6A3 (0.38) FFAR1SLC6A3SLC6A2SLC6A4METAP2
SCHEMBL27482051 0.81 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL27468087 0.78 ALDH1A1 (0.46) FFAR2
SCHEMBL4249915 0.76 FFAR1 (0.60) FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL27466230 0.76 APP (0.42) SLC6A3SLC6A2SLC6A4METAP2
SCHEMBL27467646 0.76 KCNH2 (0.46) FFAR1SLC6A3PTGS2SLC6A2SLC6A4
SCHEMBL27502236 0.76 KCNH2 (0.46) FFAR1SLC6A3PTGS2SLC6A2SLC6A4
SCHEMBL27465660 0.74 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4METAP2
SCHEMBL14798077 0.74 FFAR1 (0.49) FFAR1SLC6A3PTGS2SLC6A2SLC6A4
SCHEMBL15971818 0.72 FFAR1 (0.49) FFAR1

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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