SCHEMBL28834673

SCHEMBL28834673

NC(=O)OCCCc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MTNR1A P48039 3/20 0.55
CDYL Q9Y232 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.47
MCL1 Q07820 2/20 0.46
COPS5 Q92905 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ACP3 P15309 1/20 0.42

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
SCHEMBL11566791 0.95 MTNR1A (0.54) LMNAMTNR1ACDYLTDP1MEN1
SCHEMBL11567919 0.94 MTNR1A (0.52) LMNAMTNR1ACDYLTDP1MEN1
SCHEMBL6421722 0.90 MTNR1A (0.58) LMNAMTNR1ACDYLTDP1MEN1
SCHEMBL8041649 0.81 THRB (0.50) MTNR1ACDYLTDP1MEN1KMT2A
SCHEMBL1998527 0.80 MEN1 (0.59) MTNR1ATDP1MEN1KMT2APARP10
SCHEMBL1284856 0.80 MTNR1A (0.62) MTNR1ATDP1MEN1KMT2APARP10
SCHEMBL2545484 0.78 LMNA (0.60) LMNATDP1KMT2APARP10
SCHEMBL5907634 0.77 CDYL (0.51) MTNR1ACDYLTDP1KMT2AMCL1
SCHEMBL29503714 0.77 THRB (0.49) MTNR1ACDYLTDP1MCL1KDM4E
SCHEMBL8038228 0.77 THRB (0.49) MTNR1ACDYLTDP1MCL1KDM4E

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-114981241-A Novel compound, preparation method and application thereof 大邱庆北尖端医疗产业振兴财团 2022-08-30 CN disclosed