SCHEMBL28569352

SCHEMBL28569352

CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
FAAH O00519 5/20 0.64
NAAA Q02083 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
EPHX2 P34913 4/20 0.60
DNM1 Q05193 2/20 0.60
SLC6A5 Q9Y345 2/20 0.56
EPHX1 P07099 1/20 0.56
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
RECQL P46063 1/20 0.53
POLB P06746 1/20 0.53
POLA1 P09884 1/20 0.53

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
SCHEMBL28279281 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL9118774 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL14073969 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL8576702 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL9118282 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL23052003 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL6584132 1.00 CASP2 (0.67) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL28576359 0.96 FAAH (0.64) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL28572453 0.96 FAAH (0.64) CASP2FAAHNAAAL3MBTL1EPHX2
SCHEMBL28279287 0.96 FAAH (0.64) CASP2FAAHNAAAL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422668-B Long-acting rasagiline prodrug and preparation method and application thereof GUANGZHOU HENOVCOM BIOSCIENCE Co.,Ltd. (CN) 2021-06-22 CN disclosed