SCHEMBL3462855

SCHEMBL3462855

C=COCC.CCCCNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
KCNH3 Q9ULD8 2/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN5A Q14524 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
F2R P25116 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP6 P55212 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL3463687 0.83 LMNA (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL49577 0.82 ALDH1A1 (0.73) ALDH1A1MAPTKCNH3F2RL3MBTL1
Fluoride SCHEMBL28157039 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
SCHEMBL27641632 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
Iodide SCHEMBL28278945 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
Pentane SCHEMBL8628163 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
Bromide SCHEMBL28210436 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
Hydrochloric Acid SCHEMBL5180822 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3LMNAF2R
Ammonia Solution, Strong SCHEMBL9312190 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1
Water SCHEMBL28107559 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKCNH3F2RL3MBTL1

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-8300300-B2 Particle for display, particle dispersion liquid for display, display medium, and display device FUJI XEROX CO., LTD. (JP) 2012-10-30 US disclosed
US-20100073280-A1 PARTICLE FOR DISPLAY, PARTICLE DISPERSION LIQUID FOR DISPLAY, DISPLAY MEDIUM, AND DISPLAY DEVICE FUJI XEROX CO., LTD. (JP) 2010-03-25 US disclosed