SCHEMBL14985291

SCHEMBL14985291

CCOc1ccc(C(C)CN)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 2/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TNF P01375 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10361478 0.81 ALDH1A1 (0.48) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL683930 0.81 ALDH1A1 (0.50) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL7143077 0.81 NFKB1 (0.57) ALDH1A1LMNATAAR1GAAKDM4E
Hydrochloric Acid SCHEMBL5108645 0.80 GAA (0.47) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL4991770 0.80 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2TNFHSD17B10
SCHEMBL12018292 0.79 KDM4E (0.44) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL23130388 0.79 MAPT (0.54) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL20459373 0.79 ALDH1A1 (0.51) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL3654988 0.78 ACHE (0.54) ALDH1A1LMNATAAR1KDM4EMAPT
SCHEMBL29959275 0.78 ACHE (0.54) ALDH1A1LMNATAAR1KDM4EMAPT

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-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed