SCHEMBL4578073

SCHEMBL4578073

C=CCCC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
CTSK P43235 8/20 0.41
CTSS P25774 5/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4162336 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL703741 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645172 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645174 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940630 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL14031160 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940631 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL13925030 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL13925029 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL1943040 0.85 CTSK (0.48) SMN1; SMN2PPARAPPARGCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2021-04-20 CN disclosed
EP-1824816-A4 A NOVEL PROCESS FOR THE PREPARATION OF NONRACEMIC LONG CHAIN alpha-AMINO ACIDS DERIVATIVES WUXI PHARMA TECH CO LTD (CN) 2008-01-02 EP disclosed
EP-1824816-A1 A NOVEL PROCESS FOR THE PREPARATION OF NONRACEMIC LONG CHAIN alpha-AMINO ACIDS DERIVATIVES Wuxi Pharma Tech Co., Ltd. (CN) 2007-08-29 EP disclosed
WO-2006039841-A1 A NOVEL PROCESS FOR THE PREPARATION OF NONRACEMIC LONG CHAIN α-AMINO ACIDS DERIVATIVES WUXI PHARMA TECH CO., LTD. (CN) 2006-04-20 WO disclosed