SCHEMBL2170636

SCHEMBL2170636

NC(=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.77
FFAR4 Q5NUL3 5/20 0.77
PARP10 Q53GL7 1/20 0.64
AKR1B1 P15121 1/20 0.59
LTA4H P09960 1/20 0.59
EPHX2 P34913 1/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58

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
SCHEMBL2036020 0.95 FFAR1 (0.76) FFAR1FFAR4PARP10
SCHEMBL434231 0.87 FFAR1 (0.59) FFAR1FFAR4PARP10
Benzyloxyphenylpropanoic Acid SCHEMBL1134648 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL1744939 0.87 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL5037942 0.86 FFAR1 (0.75) FFAR1FFAR4PARP10
Benzyloxyphenylpropanoic Acid SCHEMBL30117578 0.85 FFAR1 (0.97) FFAR1FFAR4AKR1B1
SCHEMBL2912575 0.84 FFAR1 (0.66) FFAR1FFAR4PARP10NR4A2
SCHEMBL1796796 0.84 FFAR1 (0.77) FFAR1FFAR4AKR1B1LTA4HEPHX2
SCHEMBL5033197 0.84 FFAR1 (0.77) FFAR1FFAR4AKR1B1LTA4HEPHX2
SCHEMBL1395785 0.83 PARP10 (0.68) FFAR1FFAR4PARP10NR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477684-A Substituted 3-thiazolidine-2,4-diketone Mcl-1 protein inhibitor, preparation method and application 湖南科技大学 2022-12-16 CN claimed
CN-115477684-A Substituted 3-thiazolidine-2,4-diketone Mcl-1 protein inhibitor, preparation method and application 湖南科技大学 2022-12-16 CN disclosed
CN-109843866-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2019-06-04 CN disclosed
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
CN-1050376-A Acyl-CoA: cholesterol acyltransferase inhibitor WARBER LAMBERT CO (US) 1991-04-03 CN disclosed
EP-0337714-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1989-10-18 EP disclosed