SCHEMBL8976081

SCHEMBL8976081

CCCCCCCC(=O)C(O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
PPARG P37231 6/20 0.54
PPARD Q03181 6/20 0.54
PPARA Q07869 6/20 0.54
GPR84 Q9NQS5 5/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
PTPN1 P18031 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL9840359 1.00 CES2 (0.57) CES2PPARGPPARDPPARAGPR84
SCHEMBL3641573 1.00 CES2 (0.57) CES2PPARGPPARDPPARAGPR84
SCHEMBL8201086 1.00 CES2 (0.57) CES2PPARGPPARDPPARAGPR84
SCHEMBL11403890 0.89 CES2 (0.64) CES2PPARGPPARDPPARAGPR84
SCHEMBL1847901 0.86 LMNA (0.40) TSHR
Phenol SCHEMBL7512281 0.85 HSD17B3 (0.49) CES2MEN1KMT2A
SCHEMBL10797844 0.84 CES2 (0.59) CES2PPARGPPARDPPARAGPR84
SCHEMBL8042102 0.84 CES2 (0.59) CES2PPARGPPARDPPARAGPR84
SCHEMBL9350726 0.82 CES2 (0.56) CES2MEN1KMT2A
SCHEMBL3374389 0.81 HDAC1 (0.46) CES2GPR84TSHRTDP1FFAR1

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
US-5545748-A BLEACHES; STORAGE STABILITY THE CLOROX COMPANY (US) 1996-08-13 US disclosed
EP-0390393-B1 Polyglycolate peracid precursors and compositions containing them CLOROX CO (US) 1995-05-10 EP disclosed
US-5391812-A Bleaching THE CLOROX COMPANY (US) 1995-02-21 US disclosed
US-5182045-A Late peracid precursors THE CLOROX COMPANY (US) 1993-01-26 US disclosed
EP-0390393-A2 Polyglycolate peracid precursors and compositions containing them The Clorox Company (US) 1990-10-03 EP disclosed
US-4959187-A Glycolate ester peracid precursors THE CLOROX COMPANY (US) 1990-09-25 US disclosed
US-4778618-A AND SOURCE OF HYDROGEN PEROXIDE; BLEACHING TEXTILES OVER NIDE TEMPERATURE RANGE THE CLOROX COMPANY (US) 1988-10-18 US disclosed