SCHEMBL27483479

SCHEMBL27483479

NC(=O)C(CC1CCCC1)c1ccc(C[SH](=O)=O)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CTSD P07339 5/20 0.34
▸ KCNH2 Q12809 2/20 0.31
▸ METAP2 P50579 2/20 0.31
▸ METAP1 P53582 2/20 0.31
▸ DPEP1 P16444 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ GCK P35557 3/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL27482390 0.89 PTGS1 (0.35) PTGS1PTGS2CTSDKCNH2DPEP1
SCHEMBL27481679 0.82 MAPT (0.36) —
SCHEMBL27482381 0.82 KCNH2 (0.35) PTGS1PTGS2CTSDKCNH2METAP2
SCHEMBL27465166 0.78 RAB9A (0.47) KCNH2GCKNPC1RAB9A
SCHEMBL27465638 0.77 GCK (0.60) KCNH2GCK
SCHEMBL2646451 0.76 KCNH2 (0.47) KCNH2METAP2METAP1EPHX1GCK
SCHEMBL27466230 0.75 APP (0.42) KCNH2METAP2METAP1DPEP1GCK
SCHEMBL2645072 0.73 SLC6A3 (0.46) KCNH2DPEP1GCK
SCHEMBL2645073 0.73 SLC6A3 (0.46) KCNH2DPEP1GCK
SCHEMBL27548017 0.72 APP (0.41) KCNH2

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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