SCHEMBL10790899

SCHEMBL10790899

C=CCOc1cc(OC(=O)C(=C)C)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
FLT3 P36888 1/20 0.47
ELANE P08246 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIG1 P18858 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
FFAR1 O14842 1/20 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
SCHEMBL10790964 0.88 FLT3 (0.46) KDM4EGAATSHRFLT3ELANE
SCHEMBL10786490 0.87 GAA (0.52) KDM4EGAATSHRFLT3ALDH1A1
SCHEMBL10445306 0.85 KDM4E (0.55) KDM4ETSHRELANEALDH1A1TP53
SCHEMBL6931907 0.84 GAA (0.41) KDM4EGAATSHRFLT3ELANE
Hydrochloric Acid SCHEMBL5582116 0.84 KDM4E (0.54) KDM4ETSHRELANEALDH1A1TP53
SCHEMBL8638210 0.83 GAA (0.57) KDM4EGAATSHRFLT3ALDH1A1
SCHEMBL8440044 0.82 KDM4E (0.77) KDM4EGAATSHRELANEALDH1A1
SCHEMBL2902590 0.82 FLT3 (0.66) KDM4EGAATSHRFLT3ALDH1A1
SCHEMBL7705110 0.82 GAA (0.41) KDM4EGAATSHRFLT3ELANE
SCHEMBL4533571 0.80 ELANE (0.51) GAAELANEALDH1A1TP53POLB

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
US-4661576-A LIQUID CRYSTALS THOMSON-CSF (FR) 1987-04-28 US disclosed