SCHEMBL6583668

SCHEMBL6583668

CCOc1cc(CCC(=O)O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
OR51E2 Q9H255 1/20 0.54
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR4 Q5NUL3 3/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FFAR1 O14842 1/20 0.48
TOP2A P11388 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
SCHEMBL12799076 0.88 ALOX5 (0.54) ALOX5OR51E2ALDH1A1TSHRCYP1A2
SCHEMBL29610155 0.88 ALOX5 (0.54) ALOX5OR51E2ALDH1A1TSHRCYP1A2
SCHEMBL2840795 0.87 FFAR4 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL13693266 0.87 RXRA (0.60) ALOX5OR51E2CYP1A2CYP3A4CYP2C8
SCHEMBL12799848 0.86 IAPP (0.67) ALOX5OR51E2ALDH1A1TSHRCYP1A2
Glycine SCHEMBL28611645 0.86 ALOX5 (0.47) ALOX5OR51E2ALDH1A1TSHRCYP1A2
SCHEMBL12799919 0.85 IAPP (0.68) ALOX5OR51E2ALDH1A1CYP1A2CYP3A4
SCHEMBL1550337 0.85 CYP4F2 (0.56) ALOX5OR51E2ALDH1A1TSHRCYP1A2
SCHEMBL13482377 0.84 ALOX5 (0.50) ALOX5OR51E2ALDH1A1TSHRCYP1A2
SCHEMBL22224207 0.84 ALOX5 (0.49) ALOX5OR51E2ALDH1A1TSHRCYP1A2

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-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed