SCHEMBL27552958

SCHEMBL27552958

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.38
▸ METAP2 P50579 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ OPRK1 P41145 1/20 0.34
▸ TNF P01375 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ MITF O75030 1/20 0.32

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
SCHEMBL27515306 0.89 FFAR1 (0.45) SLC6A3METAP2SLC6A2SLC6A4FFAR1
SCHEMBL27482051 0.81 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL27468087 0.77 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL27616381 0.76 KCNH2 (0.45) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL27465660 0.74 SLC6A3 (0.40) SLC6A3METAP2SLC6A2SLC6A4
SCHEMBL27466230 0.72 APP (0.42) SLC6A3METAP2SLC6A2SLC6A4
SCHEMBL9155662 0.71 MEN1 (0.47) METAP2MEN1KMT2AFFAR1EPHX1
SCHEMBL17761361 0.70 FFAR1 (0.50) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL12836112 0.70 FFAR1 (0.50) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL17761387 0.70 FFAR1 (0.50) SLC6A3SLC6A2SLC6A4MEN1KMT2A

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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