SCHEMBL30716618

SCHEMBL30716618

CCOC(=O)C(=O)CC(=O)Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
CDC25B P30305 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
POLB P06746 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL20897263 1.00 KMT2A (0.54) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL7638348 0.88 KMT2A (0.59) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL8366149 0.86 KMT2A (0.56) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL30070191 0.86 KMT2A (0.56) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL7062411 0.80 CDYL (0.55) KMT2ATDP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL15964596 0.80 L3MBTL1 (0.47) KMT2ATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6835387 0.80 KMT2A (0.56) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL11085302 0.80 CDC25B (0.53) KMT2ATDP1KDM4EALDH1A1HPGD
SCHEMBL29729685 0.79 KMT2A (0.62) KMT2ATDP1ATMKDM4EAPOBEC3A
SCHEMBL845701 0.79 KMT2A (0.62) KMT2ATDP1ATMKDM4EAPOBEC3A

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-111479806-B D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2024-01-30 CN disclosed