SCHEMBL9484207

SCHEMBL9484207

CCCCCCCCCCCOc1ccc2ccccc2c1C=O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.89
GAA P10253 1/20 0.89
TDP1 Q9NUW8 1/20 0.89
ADRB2 P07550 1/20 0.67
ADRB1 P08588 1/20 0.67
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2C9 P11712 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
CNR1 P21554 3/20 0.54
CNR2 P34972 3/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
PLA2G1B P04054 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ATG4B Q9Y4P1 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
SCHEMBL5103995 1.00 L3MBTL1 (0.89) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL6715087 1.00 L3MBTL1 (0.89) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL3267360 0.94 L3MBTL1 (1.00) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL2998966 0.90 L3MBTL1 (0.86) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL8375788 0.87 L3MBTL1 (0.68) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL24682276 0.86 L3MBTL1 (0.70) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL13647560 0.85 L3MBTL1 (0.70) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL28507227 0.83 GAA (0.63) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL1253291 0.83 L3MBTL1 (0.75) L3MBTL1GAATDP1ADRB2ADRB1
SCHEMBL29844427 0.83 L3MBTL1 (0.75) L3MBTL1GAATDP1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527175-A4 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0527175-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-17 EP disclosed
WO-1991017149-A1 3-NAPHTHYL-3-CARBOXYALKYLTHIO OR OXY SUBSTITUTED ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed