SCHEMBL27467641

SCHEMBL27467641

CCC(=O)OC(c1ccc(S(C)(=O)=O)c(Br)c1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ THRB P10828 2/20 0.31

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
SCHEMBL27465661 0.86 KCNH2 (0.43) KCNH2SLC6A3GCKLMNA
SCHEMBL27467640 0.79 PTGS1 (0.35) SLC6A3LMNA
SCHEMBL2647331 0.71 KCNH2 (0.48) KCNH2GCK
SCHEMBL2647285 0.70 KCNH2 (0.48) KCNH2SLC6A3GCK
SCHEMBL2646451 0.70 KCNH2 (0.47) KCNH2EPHX1GCK
SCHEMBL27523626 0.70 KMT2A (0.45) ALDH1A1SLC6A3LMNA
SCHEMBL27465660 0.70 SLC6A3 (0.40) SLC6A3LMNA
SCHEMBL27466729 0.69 ABCB11 (0.35) KCNH2SLC6A3EPHX1EPHX2
SCHEMBL27502624 0.68 PIK3CD (0.33) ALDH1A1HSD17B10KCNH2
SCHEMBL27466732 0.67 HDAC8 (0.41) 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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