SCHEMBL8552429

SCHEMBL8552429

COc1ccc(OC2CC(=O)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
MAP2K1 Q02750 1/20 0.43
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL8553781 0.81 SLC6A4 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL8814238 0.80 SMN1; SMN2 (0.37) GAADDB1CRBNMEN1KMT2A
SCHEMBL7360048 0.80 ALOX5 (0.50) GAADDB1CRBNBRD4CREBBP
SCHEMBL8442975 0.73 CRBN (0.55) GAAKDM4ETSHRMAP2K1DDB1
SCHEMBL20041851 0.72 KDM1A (0.47) GAAKDM4ETSHRMAP2K1DDB1
SCHEMBL19559429 0.72 KDM1A (0.47) GAAKDM4ETSHRMAP2K1DDB1
SCHEMBL20041901 0.72 KDM1A (0.47) GAAKDM4ETSHRMAP2K1DDB1
SCHEMBL6827562 0.70 DDB1 (0.51) GAAKDM4ETSHRMAP2K1DDB1
SCHEMBL6686171 0.70 BRD4 (0.50) KDM4ETSHRBRD4CREBBPRAB9A
SCHEMBL17276246 0.70 GAA (0.40) GAAKDM4ETSHRMAP2K1DDB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed