SCHEMBL27651626

SCHEMBL27651626

CC[C@H](C)[C@H](N)C(=O)Oc1nccs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ HSPA5 P11021 2/20 0.39
▸ HSPA2 P54652 1/20 0.39
▸ DPP8 Q6V1X1 4/20 0.37
▸ DPP9 Q86TI2 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DPP4 P27487 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ DPP7 Q9UHL4 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27630399 0.83 ALDH1A1 (0.40) ALDH1A1PKMHSPA5L3MBTL1MAPT
SCHEMBL1133747 0.83 ALDH1A1 (0.40) ALDH1A1PKMHSPA5L3MBTL1MAPT
SCHEMBL13370728 0.79 ALDH1A1 (0.41) ALDH1A1PKML3MBTL1MAPTHTT
SCHEMBL8701139 0.77 PKM (0.38) ALDH1A1PKMHSPA5L3MBTL1MAPT
SCHEMBL27585045 0.75 PKM (0.39) ALDH1A1PKMHSPA5L3MBTL1MAPT
SCHEMBL27641755 0.74 ALDH1A1 (0.41) ALDH1A1PKML3MBTL1MAPTHTT
SCHEMBL5679261 0.73 DPP8 (0.40) ALDH1A1HSPA5HSPA2DPP8DPP9
SCHEMBL6056845 0.72 HSPA5 (0.60) ALDH1A1PKMHSPA5HSPA2LMNA
SCHEMBL7415644 0.72 HSPA5 (0.60) ALDH1A1PKMHSPA5HSPA2LMNA
Hydrochloric Acid SCHEMBL7417556 0.71 HSPA5 (0.59) ALDH1A1PKMHSPA5HSPA2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186825-A Aryl gpr120 receptor agonists and uses thereof METABOLEX INC 2011-09-14 — — CN disclosed
CN-1993320-A Sulfonyl compounds as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2007-07-04 — — CN disclosed
CN-1938286-A Diaryltriazoles as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO INC (US) 2007-03-28 — — CN disclosed
CN-1870990-A Fused phenylalanine derivatives as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2006-11-29 — — CN disclosed
CN-1845731-A Combination therapy for glycaemic control PROSIDION LTD (GB) 2006-10-11 — — CN disclosed
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