SCHEMBL14970664

SCHEMBL14970664

CC(C)c1ccccc1OCCCN1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.82
KDM4E B2RXH2 1/20 0.69
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.62
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
HRH1 P35367 3/20 0.57
DRD2 P14416 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
DRD1 P21728 2/20 0.56
MAPT P10636 1/20 0.55
CYP1A2 P05177 1/20 0.55
DRD4 P21917 1/20 0.55

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
SCHEMBL14970683 0.93 L3MBTL1 (0.71) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL806900 0.93 L3MBTL1 (0.71) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL14966373 0.91 L3MBTL1 (0.70) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL14084433 0.91 L3MBTL1 (0.73) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL14970718 0.87 L3MBTL1 (0.90) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL14970587 0.87 L3MBTL1 (0.90) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL14970553 0.82 KDM4E (0.66) L3MBTL1KDM4EALDH1A1HTTMEN1
SCHEMBL10223324 0.78 ADRB2 (0.64) L3MBTL1KDM4EDRD2MEN1KMT2A
SCHEMBL11538265 0.77 CYP2D6 (0.88) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1
SCHEMBL18309270 0.77 L3MBTL1 (0.60) L3MBTL1KDM4ECYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed