SCHEMBL21696876

SCHEMBL21696876

COc1ccc(C(=O)N2CCCC2C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
GAA P10253 1/20 0.61
LRRK2 Q5S007 1/20 0.55
LMNA P02545 1/20 0.52
MCL1 Q07820 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
POLB P06746 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL15651118 0.88 HSD11B1 (0.62) HPGDGAALRRK2LMNAALDH1A1
SCHEMBL15651671 0.84 HPGD (0.63) HPGDGAALRRK2LMNAALDH1A1
SCHEMBL6280447 0.84 MCL1 (0.58) HPGDGAALMNAMCL1ALDH1A1
SCHEMBL8190808 0.84 ALDH1A1 (0.58) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL15595714 0.84 ALDH1A1 (0.58) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL8190806 0.84 ALDH1A1 (0.58) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL6373713 0.83 LMNA (0.52) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL13753517 0.81 HPGD (0.71) HPGDGAALMNAALDH1A1MEN1
SCHEMBL9432665 0.80 ALDH1A1 (0.50) HPGDGAALMNAMCL1ALDH1A1
SCHEMBL9873608 0.80 MEN1 (0.49) HPGDLMNAALDH1A1MEN1KMT2A

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed