SCHEMBL8553424

SCHEMBL8553424

C=CCN(CC=C)CCOc1ccc(C(O)C(C)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 1/20 0.38
EBP Q15125 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL8553421 0.77 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11316179 0.73 KDM4E (0.48) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9940218 0.73 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27670496 0.72 NQO1 (0.52) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL3953775 0.71 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3953773 0.71 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5176969 0.70 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL219418 0.69 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2425061 0.68 EBP (0.55) KDM4EALDH1A1KMT2AESR1ESR2
SCHEMBL2426949 0.68 EBP (0.55) KDM4EALDH1A1KMT2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750607-B1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1999-05-06 EP disclosed
EP-0750607-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY Knoll AG (DE) 1997-01-02 EP disclosed
WO-1995023127-A1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1995-08-31 WO disclosed