SCHEMBL28212968

SCHEMBL28212968

CCC(=O)C(CC)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LAP3 P28838 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL2551995 0.83 TDP1 (0.39) TDP1FFAR3ALDH1A1
SCHEMBL1968391 0.83
SCHEMBL6692723 0.80 CA1 (0.35) CA1CA2LAP3
SCHEMBL20352167 0.80 CA1 (0.40) CA1CA2FFAR3ALDH1A1
SCHEMBL620326 0.78 FFAR3 (0.42) CA2TDP1FFAR3ALDH1A1
SCHEMBL3827018 0.78
SCHEMBL649665 0.76
SCHEMBL30364312 0.76 FFAR3 (0.40) CA2TDP1FFAR3ALDH1A1
SCHEMBL7919552 0.76 TDP1 (0.40) TDP1FFAR3ALDH1A1
SCHEMBL11042347 0.76

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
WO-2023204189-A1 METHOD FOR PRODUCING COMPOSITION CONTAINING PURIFIED FLUORINE-CONTAINING ETHER COMPOUND ダイキン工業株式会社 2023-10-26 WO disclosed
CN-107922316-A Fto inhibitor 北京生命科学研究所 2018-04-17 CN disclosed