SCHEMBL6036874

SCHEMBL6036874

C=C(C(=O)NCC(=O)O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
PTPN1 P18031 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HPGD P15428 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6688986 0.80 CTSL (0.55) ALDH1A1HPGDKMT2A
SCHEMBL237337 0.80 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL6664470 0.78 CTSL (0.46) SMN1; SMN2ALDH1A1
SCHEMBL4291622 0.77 CTSL (0.51) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11693178 0.76 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL146130 0.75 PTPN1 (0.63) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
Propionic Acid SCHEMBL7926726 0.74 ALDH1A1 (0.58) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6744118 0.73 PTPN1 (0.61) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL13656481 0.72 CES2 (0.56) SMN1; SMN2RAB9AL3MBTL1ALDH1A1ERCC5
SCHEMBL1958029 0.72 MME (0.50) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111500673-B Angiotensin converting enzyme assay kit and preparation method and application thereof 中科梅奥(山东)医学检验有限公司 2021-03-30 CN disclosed
CN-111500673-A Angiotensin converting enzyme assay kit and preparation method and application thereof 中科梅奥(山东)医学检验有限公司 2020-08-07 CN disclosed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
US-20050153357-A1 Bioactive sensors EICHLER JUTTA (DE) 2005-07-14 US disclosed
US-20020127577-A1 Bioactive sensors GRAFFINITY PHARMACEUTICALS AG (DE) 2002-09-12 US disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 EP disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 WO disclosed