SCHEMBL9696985

SCHEMBL9696985

C=CCOC(=O)C=Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
APP P05067 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL2690695 0.82 HDAC8 (0.55) HDAC8HDAC6ALDH1A1MAPTMAPK1
SCHEMBL2690696 0.82 HDAC8 (0.55) HDAC8HDAC6ALDH1A1MAPTMAPK1
SCHEMBL7024673 0.81 APP (0.58) ALDH1A1MAPTMAPK1APPMEN1
SCHEMBL27724705 0.81 HDAC8 (0.56) HDAC8HDAC6ALDH1A1MAPTMAPK1
SCHEMBL28989841 0.80 EGFR (0.54) HDAC8HDAC6ALDH1A1MAPTMAPK1
SCHEMBL5388256 0.80 CYP3A4 (0.53) ALDH1A1MAPTMAPK1HPGDAPP
SCHEMBL5388253 0.80 CYP3A4 (0.53) ALDH1A1MAPTMAPK1HPGDAPP
SCHEMBL11820758 0.79 APP (0.50) ALDH1A1MAPTMAPK1HPGDAPP
SCHEMBL6794099 0.78 EGFR (0.53) HDAC8HDAC6ALDH1A1MAPTMAPK1
SCHEMBL6794103 0.78 EGFR (0.53) HDAC8HDAC6ALDH1A1MAPTMAPK1

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-1992000547-A1 POLYMERIC COMPOSITIONS BRITISH TELECOMMUNICATIONS PUBLIC LIMITED COMPANY (GB) 1992-01-09 WO disclosed