SCHEMBL30745004

SCHEMBL30745004

CCOC(=O)c1nc2ccccc2c(C2CC2)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL30745029 0.85 MAPT (0.44) MEN1KMT2AKDM4EHSP90AA1SMN1; SMN2
SCHEMBL30745009 0.82 MAPT (0.47) MEN1KMT2AKDM4EHSP90AA1SMN1; SMN2
SCHEMBL3109659 0.80 MAPT (0.49) MEN1KMT2AKDM4EHSP90AA1SMN1; SMN2
SCHEMBL30744991 0.79 LMNA (0.48) MEN1KMT2AL3MBTL1HSP90AA1SMN1; SMN2
SCHEMBL30745017 0.78 MAPT (0.40) MEN1KMT2AHSP90AA1SMN1; SMN2MAPT
SCHEMBL13465546 0.75 OGFRL1 (0.46) MEN1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL4147275 0.73 LMNA (0.48) MEN1KMT2AKDM4EL3MBTL1HSP90AA1
SCHEMBL2510778 0.73 ADORA3 (0.44) MEN1KMT2AKDM4ESMN1; SMN2ADORA3
SCHEMBL31440811 0.73 MAPT (0.56) MEN1KMT2AKDM4EHSP90AA1SMN1; SMN2
SCHEMBL26615792 0.73 MAPT (0.56) MEN1KMT2AKDM4EHSP90AA1SMN1; SMN2

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed