SCHEMBL8409277

SCHEMBL8409277

O=CC1CCOC(c2cc(F)cc(OCc3ccccc3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
MAOB P27338 6/20 0.36
MAOA P21397 5/20 0.36
KDM1A O60341 5/20 0.35
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
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8410986 0.83 S1PR5 (0.41) FFAR1MAOBMAOAKDM1ARAB9A
SCHEMBL8411227 0.82 FFAR1 (0.37) FFAR1MAOBMAOAKDM1ANPC1
SCHEMBL8408803 0.81 KCNH2 (0.44) FFAR1MAOBMAOANPC1RAB9A
SCHEMBL8412154 0.79 FFAR1 (0.35) FFAR1MAOBMAOAKDM1AMEN1
SCHEMBL30997980 0.73 TSHR (0.44) MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL10477669 0.69 MEN1 (0.50) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL5042093 0.69 ALOX5 (0.55) FFAR1MAOBMAOAALDH1A1RAB9A
SCHEMBL31160636 0.69 MEN1 (0.59) FFAR1MAOBMAOAALDH1A1RAB9A
SCHEMBL3242914 0.67 MAOB (0.65) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL7807458 0.67 ALOX5 (0.47)

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed