SCHEMBL30716629

SCHEMBL30716629

CCCC(=O)Oc1ccccc1COC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7954462 0.89 KDM4E (0.55) MEN1KMT2AKDM4ERECQLALOX15
SCHEMBL7956498 0.88 KDM4E (0.54) MEN1KMT2AKDM4ERECQLALOX15
SCHEMBL27754492 0.86 KDM4E (0.53) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL28149350 0.83 KDM4E (0.47) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL9312497 0.82 KMT2A (0.59) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL27491120 0.82 KDM4E (0.49) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL6353496 0.82 KDM4E (0.49) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL3144843 0.82 KDM4E (0.49) MEN1KMT2AKDM4ERECQLL3MBTL1
SCHEMBL27859637 0.81 THRA (0.57) MEN1KMT2AKDM4ERECQLALOX15
SCHEMBL31053826 0.80 L3MBTL1 (0.56) MEN1KMT2AKDM4ERECQLL3MBTL1

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