SCHEMBL28005772

SCHEMBL28005772

CCCCCCCCCCCCCCC(O)(O)C(O)(O)C(O)(O)C(=O)O.[CaH2]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.41
GGPS1 O95749 5/20 0.41
CES2 O00748 1/20 0.40
PPARG P37231 4/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
TSHR P16473 3/20 0.39
GPR84 Q9NQS5 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
TLR2 O60603 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
FABP4 P15090 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.39
PDE4A P27815 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
SCHEMBL436280 0.98 FDPS (0.42) FDPSGGPS1CES2PPARGPPARD
Ammonia Solution, Strong SCHEMBL28158076 0.96 FDPS (0.41) FDPSGGPS1CES2PPARGPPARD
SCHEMBL28005994 0.96 FDPS (0.41) FDPSGGPS1CES2PPARGPPARD
SCHEMBL28008539 0.94 FDPS (0.40) FDPSGGPS1CES2PPARGPPARD
SCHEMBL5166382 0.92 FDPS (0.41) FDPSGGPS1CES2PPARGPPARD
SCHEMBL18429937 0.91 FDPS (0.40) FDPSGGPS1CES2PPARGPPARD
SCHEMBL17889061 0.91 FDPS (0.40) FDPSGGPS1CES2PPARGPPARD
SCHEMBL28360542 0.91 FDPS (0.40) FDPSGGPS1CES2PPARGPPARD
SCHEMBL28008114 0.91 FDPS (0.40) FDPSGGPS1CES2PPARGPPARD
SCHEMBL10619531 0.90 AKR1B1 (0.34) FDPSGGPS1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478692-B A kind of synthetic method of multi-hydroxy stearic acid salt 浙江传化华洋化工有限公司 2016-08-24 CN disclosed
CN-104478692-A Synthesis method and application of polyhydroxy stearate ZHEJIANG TRANSFAR WHYYON CHEMICAL CO LTD 2015-04-01 CN disclosed