SCHEMBL14970718

SCHEMBL14970718

CCC(C)c1ccccc1OCCCN1CCCCC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.90
KDM4E B2RXH2 2/20 0.90
HTT P42858 1/20 0.81
ALDH1A1 P00352 3/20 0.62
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
HRH1 P35367 3/20 0.53
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL14970587 1.00 L3MBTL1 (0.90) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL14970664 0.87 L3MBTL1 (0.82) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL14970683 0.80 L3MBTL1 (0.71) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL806900 0.80 L3MBTL1 (0.71) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL14970451 0.79 HTT (0.66) L3MBTL1KDM4EHTTALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL14966373 0.79 L3MBTL1 (0.70) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL14084433 0.79 L3MBTL1 (0.73) L3MBTL1KDM4EHTTALDH1A1CYP2D6
SCHEMBL14970552 0.78 HTT (0.64) L3MBTL1KDM4EHTTALDH1A1MEN1
SCHEMBL24893443 0.76 L3MBTL1 (0.65) L3MBTL1KDM4EHTTALDH1A1CYP2C19
SCHEMBL22500372 0.76 L3MBTL1 (0.60) L3MBTL1KDM4EHTTALDH1A1CYP2C19

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