SCHEMBL8086176

SCHEMBL8086176

COC(C)OC(C)C(CCCC(=O)O)(C(=O)O)C(C)OC(C)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
AKR1B1 P15121 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 7/20 0.31
PPARD Q03181 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC11 Q96DB2 5/20 0.31
PTPN1 P18031 3/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
FABP4 P15090 2/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX15 P16050 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
SCHEMBL578768 0.82 AKR1B1 (0.37) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL4384333 0.80 TSHR (0.40) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL4389899 0.78 TSHR (0.34) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL1302163 0.78 AKR1B1 (0.36) TSHRALDH1A1SLC22A6AKR1B1GPR84
SCHEMBL3675477 0.77 GPR84 (0.41) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL3678894 0.77 GPR84 (0.41) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL136592 0.76 LMNA (0.42) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL4394670 0.75 TSHR (0.39) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL4382366 0.75 PRKCA (0.33) TSHRALDH1A1LMNASLC22A6AKR1B1
SCHEMBL4383481 0.75 TSHR (0.35) TSHRALDH1A1LMNASLC22A6AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010595-A DISPOSABLE PRODUCTS EASTMAN CHEMICAL COMPANY (US) 2000-01-04 US disclosed