SCHEMBL28005996

SCHEMBL28005996

O=C(O)C(O)C(O)C(O)C(O)C(O)CCCCCCCCCCCCO.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.37
GPR84 Q9NQS5 4/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTPN1 P18031 2/20 0.34
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28465166 1.00 PDE4A (0.53) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL28380507 0.98 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL28496980 0.98 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL5168154 0.98 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL17889062 0.98 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL436281 0.98 PDE4A (0.55) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL29006932 0.96 PDE4A (0.53) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL28832081 0.96 PDE4A (0.53) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL28426162 0.96 PDE4A (0.53) PDE4ATSHRCYP2C9LMNAGPR84
SCHEMBL29207127 0.96 PDE4A (0.53) PDE4ATSHRCYP2C9LMNAGPR84

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