SCHEMBL11228647

SCHEMBL11228647

c1ccc(COC2=C([PH](c3ccccc3)(c3ccccc3)c3ccccc3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.38
MAOA P21397 3/20 0.38
HRH3 Q9Y5N1 5/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
GRM5 P41594 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 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
Bromide SCHEMBL11140930 0.98 MAOB (0.37) MAOBMAOAHRH3MAPTBCHE
SCHEMBL11233344 0.98 MAOB (0.39) MAOBMAOAHRH3MAPTBCHE
SCHEMBL11227711 0.95 MAOB (0.39) MAOBMAOAHRH3MAPTRAB9A
SCHEMBL11245133 0.77 CA4 (0.31) SLC6A2SLC6A3
SCHEMBL11232289 0.76 NDUFS8 (0.33) MAOB
SCHEMBL11142208 0.75 CA4 (0.32)
Bromide SCHEMBL11240464 0.75 NDUFS8 (0.32) MAOB
SCHEMBL11236572 0.75 GLA (0.40) MAPTALDH1A1HPGDSMN1; SMN2SLC6A2
SCHEMBL11225526 0.74 NDUFS8 (0.33) MAOB
Bromide SCHEMBL11147068 0.74 GLA (0.39) MAPTALDH1A1HPGDSMN1; SMN2SLC6A2

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
US-4336252-A 1-Cycloalkyl phosphonium salts G. D. SEARLE & CO. (US) 1982-06-22 US claimed