SCHEMBL5317079

SCHEMBL5317079

COc1ccc(CC(C(=O)O)C(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.69
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
SLC6A4 P31645 1/20 0.53
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
ACACB O00763 1/20 0.48

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
SCHEMBL28622517 0.88 LDHA (0.67) LDHAPPARGPPARASLC6A4NPC1
SCHEMBL6576876 0.85 KMT2A (0.56) LDHAPPARGPPARANPC1POLB
SCHEMBL19754023 0.85 LDHA (0.57) LDHASLC6A4SMN1; SMN2KMT2AACACB
SCHEMBL19754035 0.83 LDHA (0.56) LDHAPPARGPPARASLC6A4KMT2A
SCHEMBL27535176 0.83 LDHA (0.59) LDHAPPARGPPARAKMT2A
SCHEMBL8283100 0.82 LDHA (0.73) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL663059 0.82 LDHA (0.73) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL490716 0.82 LDHA (1.00) LDHAPPARGPPARASLC6A4
SCHEMBL15592509 0.81 LDHA (0.45) LDHAPPARGPPARASMN1; SMN2CA1
SCHEMBL4990742 0.81 LDHA (0.61) LDHAPPARGPPARASLC6A4NPC1

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
EP-3730502-A1 SYNTHESIS AND APPLICATION OF OXASPIROCYCLODIPHOSPHINE LIGAND SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2020-10-28 EP disclosed
WO-2019153203-A1 SYNTHESIS AND APPLICATION OF OXASPIROCYCLODIPHOSPHINE LIGAND 凯特立斯(深圳)科技有限公司 2019-08-15 WO disclosed
EP-1838654-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS Phoenix Chemicals Limited (GB) 2007-10-03 EP disclosed
WO-2006075177-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed