SCHEMBL8514098

SCHEMBL8514098

O=CCN1CCC[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SPHK2 Q9NRA0 10/20 0.38
SPHK1 Q9NYA1 10/20 0.38
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2573666 1.00 POLB (0.47) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL2559500 0.82 S1PR1 (0.38) POLBL3MBTL1ALDH1A1
SCHEMBL29955370 0.81 POLB (0.44) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL11300057 0.80 POLB (0.42) POLBL3MBTL1SPHK2SPHK1
SCHEMBL8436147 0.80 POLB (0.42) POLBL3MBTL1SPHK2SPHK1
SCHEMBL16292754 0.77 SIGMAR1 (0.41)
SCHEMBL2268870 0.76
SCHEMBL14067026 0.76
SCHEMBL2557418 0.76 SIGMAR1 (0.32) ALDH1A1
SCHEMBL30846523 0.76 HDAC8 (0.44)

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
EP-2457903-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-05-30 EP claimed
CN-114805301-A 2, 4-diarylaminopyrimidine compounds and preparation method and application thereof 沈阳药科大学 2022-07-29 CN disclosed