SCHEMBL28005773

SCHEMBL28005773

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
GPR84 Q9NQS5 4/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTPN1 P18031 2/20 0.34
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 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
SCHEMBL7172292 0.98 PDE4A (0.48) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL8984391 0.98 PDE4A (0.48) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL3175311 0.98 PDE4A (0.48) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL28150369 0.96 PDE4A (0.47) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL28018004 0.96 PDE4A (0.47) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL28006023 0.96 PDE4A (0.47) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL28005996 0.92 PDE4A (0.53) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL28465166 0.92 PDE4A (0.53) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL8719692 0.92 PDE4A (0.57) PDE4ATSHRCYP2C9GPR84FFAR1
SCHEMBL690826 0.92 PDE4A (0.57) PDE4ATSHRCYP2C9GPR84FFAR1

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