SCHEMBL8553421

SCHEMBL8553421

C=CCN(CC=C)CCOc1ccccc1C(O)C(C)N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KMT2A Q03164 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 13/20 0.49
ATM Q13315 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 3/20 0.41
CYP2D6 P10635 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL8553424 0.77 KDM4E (0.58) ALDH1A1KMT2AL3MBTL1KDM4EATM
SCHEMBL5053504 0.77 ADRA2A (0.43) ALDH1A1KMT2AL3MBTL1KDM4EHPGD
SCHEMBL7784242 0.77 ADRA2A (0.43) ALDH1A1KMT2AL3MBTL1KDM4EHPGD
SCHEMBL7779145 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1KDM4EMEN1
SCHEMBL5050115 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1KDM4EMEN1
Hydrochloric Acid SCHEMBL9869331 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1KDM4EATM
SCHEMBL8782512 0.70 LIPE (0.49) ALDH1A1KMT2AL3MBTL1KDM4EHPGD
SCHEMBL7786253 0.70 ADRA2A (0.64) ALDH1A1KMT2AKDM4EMEN1CYP2D6
SCHEMBL5051465 0.70 ADRA2A (0.64) ALDH1A1KMT2AKDM4EMEN1CYP2D6
SCHEMBL11039640 0.69 KDM4E (0.62) ALDH1A1KMT2AL3MBTL1KDM4EATM

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 4 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
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 US 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