SCHEMBL27675105

SCHEMBL27675105

CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
LDHA P00338 1/20 0.49
KMT2A Q03164 3/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 2/20 0.44
FPR2 P25090 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACACB O00763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4538023 0.84 HDAC1 (0.45) KMT2AALDH1A1FPR2MEN1LMNA
SCHEMBL4538019 0.84 HDAC1 (0.45) KMT2AALDH1A1FPR2MEN1LMNA
SCHEMBL6952367 0.84 MMP8 (0.55) EPHX2KMT2AALDH1A1MEN1
SCHEMBL7882117 0.84 MMP8 (0.55) EPHX2KMT2AALDH1A1MEN1
SCHEMBL27352894 0.84 LDHA (0.61) LDHAKMT2AALDH1A1FPR2
SCHEMBL8932191 0.83 LDHA (0.52) LDHAKMT2AALDH1A1FPR2KDM4E
SCHEMBL11674845 0.82 ACACB (0.54) EPHX2LDHAKMT2AGLAALDH1A1
SCHEMBL14370512 0.82 ACACB (0.54) EPHX2LDHAKMT2AGLAALDH1A1
SCHEMBL29421743 0.81 APLNR (0.47) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL28209573 0.80 LMNA (0.46) KMT2AALDH1A1KDM4EMEN1LMNA

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-86107574-A Compositions containing penem or carbapenem antibiotics and their use 1987-05-20 CN disclosed