SCHEMBL8629892

SCHEMBL8629892

CCCCN(CC(O)COC)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 2/20 0.41
CASR P41180 2/20 0.41
PPARG P37231 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
AOC3 Q16853 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 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
SCHEMBL8633500 0.94 CNR2 (0.47) KDM4EMAPK1TDP1CNR2CASR
SCHEMBL8632573 0.87 KDM4E (0.39) KDM4EMAPK1TDP1CNR2POLB
SCHEMBL8628573 0.85 MAPT (0.43) KDM4EMAPK1TDP1CNR2POLB
SCHEMBL8628766 0.84 CNR2 (0.48) KDM4EMAPK1TDP1CNR2PPARG
SCHEMBL1573445 0.81 CNR2 (0.47) MAPK1CNR2PPARGSMN1; SMN2AOC3
SCHEMBL8628545 0.81 KDM4E (0.36) KDM4EMAPK1TDP1POLBMEN1
SCHEMBL8631317 0.77 POLB (0.46) POLBMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL24359339 0.76 CNR2 (0.52) MAPK1CNR2PPARGSMN1; SMN2AOC3
SCHEMBL22340749 0.74 CNR2 (0.54) CNR2NR1H2NR1H3
SCHEMBL8629617 0.74 ALDH1A1 (0.41) KDM4EPOLBMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709816-A N,N-DISUBSTITUTED ANILINE COMPOUNDS KAO CORPORATION (JP) 1998-01-20 US disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed