SCHEMBL8272902

SCHEMBL8272902

CCOc1ccc(CCCC(C(=O)O)[C@H](O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACACB O00763 3/20 0.44
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
PLA2G4B P0C869 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL1609697 1.00 PPARG (0.47) PPARGPPARASMN1; SMN2POLBALDH1A1
SCHEMBL27028893 0.84 S1PR2 (0.49) PPARGPPARASMN1; SMN2POLBALDH1A1
SCHEMBL27130219 0.84 S1PR2 (0.49) PPARGPPARASMN1; SMN2POLBALDH1A1
SCHEMBL12714123 0.81 PPARG (0.42) PPARGPPARAALDH1A1CYP2C9CYP2C19
SCHEMBL8272898 0.80 ACACB (0.44) ACACBKMT2ASIGMAR1SLC5A1SLC5A2
SCHEMBL1610780 0.80 ACACB (0.44) ACACBKMT2ASIGMAR1SLC5A1SLC5A2
SCHEMBL27301073 0.80 LTA4H (0.51) PPARGPPARASMN1; SMN2POLBALDH1A1
SCHEMBL8271891 0.80 PPARG (0.46) PPARGPPARA
SCHEMBL2246782 0.80 PPARG (0.46) PPARGPPARA
Hydrochloric Acid SCHEMBL27130078 0.79 LTA4H (0.50) PPARGPPARASMN1; SMN2POLBALDH1A1

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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed