SCHEMBL4420865

SCHEMBL4420865

C=CCNCC(=C)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 2/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.47
EGFR P00533 2/20 0.47
CES1 P23141 4/20 0.42
CES2 O00748 3/20 0.42
AKT1 P31749 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4413289 0.81 KDM4E (0.60) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL11287392 0.77 MAPT (0.56) KDM4EMAPTALDH1A1LMNAPOLB
Benzophenone SCHEMBL7590791 0.77 ALDH1A1 (0.69) KDM4EMAPTALDH1A1LMNAPOLB
Benzoic Acid SCHEMBL983379 0.77 TSHR (0.56) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL3823753 0.75 CES2 (0.52) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL15245114 0.75 EGFR (0.53) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL2521368 0.74 KDM4E (0.49) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL9978462 0.74 KDM4E (0.54) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL821285 0.74 ALOX15 (0.45) KDM4EMAPTALDH1A1HTTUSP2
Acetophenone SCHEMBL7587242 0.74 KDM4E (0.53) KDM4EMAPTALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009029519-A2 MULTIPLEXED ELECTROPORATION APPARATUS EVANS DAVID MARK (US) 2009-03-05 WO disclosed
US-20090053813-A1 MULTIPLEXED ELECTROPORATION APPARATUS EVANS DAVID MARK 2009-02-26 US disclosed
EP-1613736-A4 INHIBITION OF VIRAL PATHOGENESIS DANA FARBER CANCER INST INC (US) 2007-04-11 EP disclosed
EP-1613736-A2 INHIBITION OF VIRAL PATHOGENESIS DANA FARBER CANCER INSTITUTE (US) 2006-01-11 EP disclosed
WO-2005003325-A2 INHIBITION OF VIRAL PATHOGENESIS DANA FARBER CANCER INSTITUTE (US) 2005-01-13 WO disclosed