SCHEMBL11233344

SCHEMBL11233344

c1ccc(COC2=C([PH](c3ccccc3)(c3ccccc3)c3ccccc3)CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.39
MAOA P21397 4/20 0.39
HRH3 Q9Y5N1 3/20 0.37
BCHE P06276 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
APP P05067 1/20 0.35
MAPK1 P28482 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
SCHEMBL11228647 0.98 MAOB (0.38) MAOBMAOAHRH3BCHELMNA
Bromide SCHEMBL11140930 0.97 MAOB (0.37) MAOBMAOAHRH3BCHELMNA
SCHEMBL11227711 0.97 MAOB (0.39) MAOBMAOAHRH3LMNACYP1A2
SCHEMBL11142208 0.76 CA4 (0.32)
SCHEMBL11225526 0.75 NDUFS8 (0.33) MAOBTDP1
SCHEMBL11245133 0.75 CA4 (0.31) SLC6A2SLC6A3
SCHEMBL11222122 0.74 SMN1; SMN2 (0.40) MAPTL3MBTL1SMN1; SMN2
SCHEMBL11232289 0.74 NDUFS8 (0.33) MAOBTDP1
Bromide SCHEMBL11240464 0.73 NDUFS8 (0.32) MAOB
SCHEMBL11236572 0.73 GLA (0.40) SLC6A2SLC6A3MAPTL3MBTL1SMN1; SMN2

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