SCHEMBL28065530

SCHEMBL28065530

CC(C)(C)OC(=O)C1CCC(=S)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR119 Q8TDV5 1/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 1/20 0.39
BACE1 P56817 1/20 0.38
KLK7 P49862 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
STS P08842 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7021591 1.00 KMT2A (0.44) KMT2AL3MBTL1GPR119MTNR1AMTNR1B
SCHEMBL7020132 0.87 KMT2A (0.51) KMT2AL3MBTL1P2RX7HCRTR1HCRTR2
SCHEMBL28065531 0.87 KMT2A (0.51) KMT2AL3MBTL1P2RX7HCRTR1HCRTR2
SCHEMBL4870601 0.86 KMT2A (0.59) KMT2AMTNR1AMTNR1BBACE1P2RX7
SCHEMBL25408653 0.81 GRM6 (0.43) KMT2AMTNR1AMTNR1BP2RX7
SCHEMBL9095636 0.81 GRM6 (0.43) KMT2AMTNR1AMTNR1BP2RX7
SCHEMBL6745271 0.79 KMT2A (0.44) KMT2AL3MBTL1GPR119MTNR1AMTNR1B
SCHEMBL6745269 0.79 KMT2A (0.44) KMT2AL3MBTL1GPR119MTNR1AMTNR1B
SCHEMBL9352224 0.77 KMT2A (0.56) KMT2AL3MBTL1GPR119LMNAALDH1A1
SCHEMBL9356309 0.77 KMT2A (0.56) KMT2AL3MBTL1GPR119LMNAALDH1A1

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
CN-105566447-B The class peptide antagonists and its synthetic method of a kind of apoptosis inhibitory protein and application 广东工业大学 2019-09-20 CN disclosed
CN-105566447-A Peptoid antagonist of anti-apoptosis protein and synthesis method and application of peptoid antagonist UNIV GUANGDONG TECHNOLOGY 2016-05-11 CN disclosed