SCHEMBL28635914

SCHEMBL28635914

CC(C)(C)OC(=O)C1Cc2ccccc2C1(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
KDM1A O60341 1/20 0.37
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
CASP1 P29466 1/20 0.34
HSD11B1 P28845 3/20 0.33
KMT2A Q03164 1/20 0.33
GCK P35557 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL306308 0.78 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNABLM
SCHEMBL6716717 0.78 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNABLM
SCHEMBL6716719 0.78 EPHX2 (0.37) EPHX2KDM1AMAPK1LMNABLM
SCHEMBL10446792 0.75 EPHX2 (0.35) EPHX2KDM1AMAPK1CASP1
SCHEMBL28206833 0.70 KMT2A (0.47) MAPK1LMNABLMKMT2A
SCHEMBL7346477 0.70 KDM1A (0.38) EPHX2KDM1ALMNA
SCHEMBL10446771 0.69 KDM1A (0.36) EPHX2KDM1AMAPK1LMNABLM
SCHEMBL10449097 0.69 KDM1A (0.36) EPHX2KDM1AMAPK1HSD11B1NAMPT
SCHEMBL10446304 0.68 KDM1A (0.36) EPHX2KDM1AMAPK1NAMPT
SCHEMBL4914878 0.68 EPHX2 (0.46) EPHX2KDM1ALMNABLMKMT2A

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-113166084-A Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2021-07-23 CN disclosed