SCHEMBL30577792

SCHEMBL30577792

CCOC(=O)C1=CCNC(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
DHFR P00374 1/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL26090545 0.77 CA12 (0.46) KDM4ELMNAMAPTALOX15TSHR
SCHEMBL12659213 0.73 CHRM3 (0.43) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL10478110 0.72 LMNA (0.44) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL4869840 0.71 TSHR (0.56) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL27288846 0.71 LMNA (0.38) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL14473542 0.70 TSHR (0.39) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL10447298 0.69 TSHR (0.48) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL43932 0.69
SCHEMBL1169301 0.69 TSHR (0.40) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL17863914 0.68 DHFR (0.51) KDM4ELMNAMAPTTSHRALDH1A1

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-116724038-A Bicyclic compounds 安力高医药股份有限公司 2023-09-08 CN disclosed