SCHEMBL8628573

SCHEMBL8628573

CCCCN(CC(O)COC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CETP P11597 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 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
SCHEMBL8632573 0.87 KDM4E (0.39) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL9015952 0.86 KDM4E (0.48) MAPTPOLBKDM4EMAPK1ALDH1A1
SCHEMBL1059031 0.86 MAPT (0.46) MAPTMEN1KMT2APOLBCNR2
SCHEMBL8629892 0.85 KDM4E (0.44) MEN1KMT2APOLBCNR2KDM4E
SCHEMBL11674868 0.82 CNR2 (0.46) MEN1KMT2APOLBNPSR1CNR2
SCHEMBL8628545 0.80 KDM4E (0.36) MEN1KMT2APOLBKDM4EMAPK1
SCHEMBL8633500 0.80 CNR2 (0.47) MEN1KMT2APOLBCNR2KDM4E
SCHEMBL11676001 0.78 CNR2 (0.42) MAPTMEN1KMT2APOLBNPSR1
SCHEMBL22042269 0.76 KDM4E (0.34) KDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL107013 0.76 CNR2 (0.49) MAPTMEN1KMT2APOLBNPSR1

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