SCHEMBL27467640

SCHEMBL27467640

CCC(=O)OC(c1ccc(C[SH](=O)=O)c(Br)c1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.31
▸ LMNA P02545 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
SCHEMBL27465660 0.87 SLC6A3 (0.40) SLC6A3LMNA
SCHEMBL27467641 0.79 ALDH1A1 (0.32) SLC6A3LMNA
SCHEMBL27482390 0.70 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL27465661 0.70 KCNH2 (0.43) SLC6A3LMNA
SCHEMBL27483479 0.69 PTGS1 (0.35) PTGS1PTGS2
SCHEMBL27523626 0.69 KMT2A (0.45) SLC6A3LMNA
SCHEMBL27466731 0.67 HDAC8 (0.40) SLC6A3
SCHEMBL15219463 0.63 SHBG (0.40) —
SCHEMBL4766116 0.62 POLB (0.44) SLC6A3LMNA
SCHEMBL8257649 0.62 KDM4E (0.36) PTGS1PTGS2LMNA

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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