SCHEMBL10230076

SCHEMBL10230076

CCOC(=O)C1=C(C)NCC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 3/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL10230095 0.81 SMN1; SMN2 (0.37) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL10230078 0.75 NOTUM (0.31)
SCHEMBL13234140 0.73 KDM4E (0.55) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL10622710 0.69 BRD4 (0.53) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL21950868 0.69 MAPT (0.44) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL21950893 0.67 CA12 (0.48) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL2261452 0.67 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL95164 0.66 KDM4E (1.00) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL13996174 0.66 MAPT (0.41) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL10651148 0.66 LMNA (0.39) KDM4EMAPTMEN1KMT2AALOX15

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
WO-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed