SCHEMBL8877136

SCHEMBL8877136

O=C(C=Cc1ccc(F)cc1)c1cccc2c1OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 3/20 0.55
MAPT P10636 6/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL8877131 1.00 MAOB (0.55) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL5215083 0.74 MAPT (0.57) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL8987020 0.72 MAOB (0.73) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL8987021 0.72 MAOB (0.73) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL31326034 0.72 MAOB (0.73) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL6206600 0.71 ABCG2 (0.44) MAOBALDH1A1KDM4ELMNAPKM
SCHEMBL25221715 0.71 MAOB (0.71) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL6703286 0.71 MAOB (1.00) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL25195679 0.71 MAOB (0.71) MAOBMAOAMAPTALDH1A1CYP3A4
SCHEMBL17220893 0.71 MAOB (1.00) MAOBMAOAMAPTALDH1A1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
EP-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed