SCHEMBL4441103

SCHEMBL4441103

CCCc1coc(OC(=O)O)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.34
PTPN11 Q06124 2/20 0.34
PTPN2 P17706 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAOA P21397 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ADORA2A P29274 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MTNR1A P48039 1/20 0.32
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
F13A1 P00488 3/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL4446569 0.84 HCAR2 (0.35) HCAR2
SCHEMBL3334784 0.76 PTPN1 (0.40) PTPN1PTPN11ALDH1A1KDM4EHPGD
SCHEMBL6194175 0.73 DAO (0.46) KDM4E
SCHEMBL10328546 0.67 PDE2A (0.41) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4447965 0.67 HIF1A (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1825381 0.66 CA12 (0.30)
SCHEMBL9999109 0.66
SCHEMBL4440949 0.66 NPC1 (0.64) ALDH1A1MAOAKMT2A
SCHEMBL10328625 0.66 F13A1 (0.41) ALDH1A1PPARGPPARAF13A1
SCHEMBL10509864 0.65 PDE5A (0.39) ALDH1A1KDM4EHPGDHSD17B10PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed
EP-2120923-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed