SCHEMBL10828126

SCHEMBL10828126

CCCCCC(=O)Oc1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.66
MAOB P27338 8/20 0.63
BCHE P06276 2/20 0.62
MAPT P10636 5/20 0.60
MAOA P21397 3/20 0.60
XDH P47989 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
P4HB P07237 1/20 0.60
CALM1 P0DP23 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
CYP1B1 Q16678 3/20 0.58
HSPD1 P10809 1/20 0.58
TNFRSF1A P19438 1/20 0.58
HSPE1 P61604 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL10828123 1.00 F3 (0.66) F3MAOBBCHEMAPTMAOA
SCHEMBL10828389 0.99 F3 (0.64) F3MAOBBCHEMAPTMAOA
SCHEMBL10828386 0.99 F3 (0.64) F3MAOBBCHEMAPTMAOA
SCHEMBL10828339 0.93 F3 (0.57) F3MAOBBCHEMAPTMAOA
SCHEMBL10828335 0.93 F3 (0.57) F3MAOBBCHEMAPTMAOA
SCHEMBL10828337 0.93 F3 (0.57) F3MAOBBCHEMAPTMAOA
SCHEMBL10828088 0.86 F3 (0.75) F3MAOBBCHEMAPTMAOA
SCHEMBL10828084 0.86 F3 (0.75) F3MAOBBCHEMAPTMAOA
SCHEMBL2804860 0.83 APP (0.68) MAOBMAPTMAOAMEN1ALDH1A1
SCHEMBL10480581 0.83 GABRA3 (0.55) F3MAPTXDHMEN1ALDH1A1

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-4584190-A AROMATIC, UNSATURATED, OXO, OXYESTER KAO CORPORATION (JP) 1986-04-22 US disclosed