SCHEMBL27466728

SCHEMBL27466728

CCC(=O)OCC(c1ccc(C[SH](=O)=O)c(C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ EPHX2 P34913 6/20 0.32
▸ FFAR1 O14842 5/20 0.31
▸ EPHX1 P07099 2/20 0.31
▸ POLQ O75417 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL27466729 0.81 ABCB11 (0.35) SLC6A3EPHX2EPHX1
SCHEMBL27483477 0.78 KDM4E (0.41) SLC6A3KDM4EEPHX2FFAR1EPHX1
SCHEMBL27467638 0.72 SLC6A3 (0.48) SLC6A3MEN1MITFKMT2A
SCHEMBL27482765 0.72 MEN1 (0.50) SLC6A3MEN1KMT2A
SCHEMBL27465658 0.71 SLC6A3 (0.52) SLC6A3EPHX2
SCHEMBL27548017 0.70 APP (0.41) POLQ
SCHEMBL27548024 0.70 APP (0.40) POLQ
SCHEMBL27483137 0.69 KMT2A (0.38) SLC6A3EPHX1MEN1MITFKMT2A
SCHEMBL27482391 0.69 SLC6A3 (0.48) SLC6A3KDM4EEPHX1MEN1KMT2A
SCHEMBL27467640 0.68 PTGS1 (0.35) SLC6A3

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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