SCHEMBL8746360

SCHEMBL8746360

CCCCCCCCC(C)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8746380 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL8746426 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL8917317 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL8917782 0.98 CES2 (0.37) CES2GPR84PPARGPPARDPPARA
SCHEMBL905460 0.92 ARG1 (0.34) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9331964 0.90 ACLY (0.53) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL9334757 0.90 ACLY (0.53) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL6200668 0.86 ARG1 (0.35) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL7640876 0.86 ALDH1A1 (0.34) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL905441 0.86 ALDH1A1 (0.34) TSHRALDH1A1MEN1KMT2AHSD17B10

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
US-5683623-A FERROELECTRIC LIQUID CRYSTALS CELLS AND DEVICES FOR ELECTROOPTICAL APPARATUS CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1997-11-04 US disclosed
EP-0662114-B1 DIOXANE DERIVATIVES CENTRAL RESEARCH LAB LTD (GB) 1997-02-19 EP disclosed
EP-0662114-A1 DIOXANE DERIVATIVES. CENTRAL RESEARCH LAB LTD (GB) 1995-07-12 EP disclosed
WO-1994006885-A1 DIOXANE DERIVATIVES CENTRAL RESEARCH LABORATORIES LIMITED (GB) 1994-03-31 WO disclosed