SCHEMBL4756260

SCHEMBL4756260

Nc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.70
RAB9A P51151 2/20 0.70
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
MAOA P21397 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
NPC1 O15118 1/20 0.66
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
APP P05067 4/20 0.49
TSHR P16473 1/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL16594362 0.89 TSHR (0.56) MAOBRAB9AGAAMAPTMAOA
SCHEMBL5677947 0.87 LMNA (0.62) MAOBRAB9AGAAMAPTMAOA
SCHEMBL903883 0.87 TSHR (0.58) MAOBRAB9AGAAMAPTMAOA
SCHEMBL6201009 0.87 MAOB (0.59) MAOBRAB9AGAAMAPTMAOA
SCHEMBL27363692 0.85 TSHR (0.56) MAOBRAB9AGAAMAPTMAOA
SCHEMBL21098621 0.85 RAB9A (0.63) MAOBRAB9AGAAMAPTMAOA
SCHEMBL3120643 0.84 TSHR (0.50) MAOBRAB9AGAAMAPTMAOA
SCHEMBL9478520 0.83 KCNA3 (0.56) MAOBAPPTSHRLTA4H
4-Benzyloxyaniline SCHEMBL171449 0.83 MAOB (1.00) MAOBRAB9AGAAMAPTMAOA
SCHEMBL5583741 0.82 RAB9A (0.70) MAOBRAB9AGAAMAPTMAOA

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
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed
US-4168264-A PRINTING AND DYEING OF POLYACRYLONITRILE TEXTILES CIBA-GEIGY CORPORATION (US) 1979-09-18 US disclosed