SCHEMBL11701468

SCHEMBL11701468

C=C(CCC(OC(C)C)OC(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11705550 0.82 MAOA (0.40) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL11703005 0.80 SLC6A4 (0.40) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL1238325 0.80 MAOA (0.44) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL11703837 0.79 SLC6A4 (0.41) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL11704212 0.77 SLC6A4 (0.43) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL809444 0.77 MAOA (0.41) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL809982 0.77 MAOA (0.41) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL22544625 0.77 MAOA (0.46) SLC6A4SLC6A3MAOAMAOBLMNA
SCHEMBL11701570 0.76 SLC6A4 (0.39) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL5033210 0.75 MAOA (0.40) SLC6A4SLC6A3MAOAMAOBLMNA

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-4036886-A FROM A PHENYL ALKENYL BROMIDE AND LITHIUM SALT OF A SCHIFF BASE OF ACETALDEHYDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-07-19 US disclosed
US-4031140-A FLAVORS, ODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US disclosed