SCHEMBL8893055

SCHEMBL8893055

c1ccc(CC2(Cc3ccccc3)CCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
OPRL1 P41146 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
KDM1A O60341 4/20 0.34
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL14691766 0.98 MAOA (0.44) MAOAMAOBOPRL1OPRM1OPRK1
Ammonia Solution, Strong SCHEMBL4767628 0.92 MAOA (0.42) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL4616975 0.85 MAOB (0.37) MAOAMAOBOPRM1GAA
Ammonia Solution, Strong SCHEMBL14691839 0.83 MAOA (0.48) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL3906018 0.80 MAOA (0.39) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL16227371 0.77 MAOA (0.42) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL27962468 0.77 MAOA (0.42) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL10440587 0.77 MAOA (0.39) MAOAMAOBOPRL1OPRM1OPRK1
SCHEMBL706405 0.77 MAOA (0.35) MAOAMAOBKDM1AMEN1KMT2A
SCHEMBL19745430 0.77 CYP2C19 (0.35) MAOAMAOBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2101011-A None JP disclosed
CN-109748924-A A kind of asymmetric syntheses new method of biotin chiral lactone 浙江圣达生物药业股份有限公司 2019-05-14 CN disclosed
CN-109721541-A The method for transformation of 1,3- dibenzyl tetrahydro -4H- furans simultaneously [3,4-d] imidazoles -2,4 (1H) diketone 浙江工业大学 2019-05-07 CN disclosed
US-5698524-A PREPARING WATER SOLUBLE REACTION PRODUCT POLYMER OF LIGNIN AND LIGNOID THAT HAVE EACH BEEN EXTRACTED FROM WOOD OR WOOD-LIKE MATERIALS UNDER ACIDIC AND/OR ALKALINE CONDITIONS MACH WALTER (DE) 1997-12-16 US disclosed
US-5554596-A POLYMER WITH LIGNIN UNITS AND LIGNOID UNITS MACH WALTER (DE) 1996-09-10 US disclosed
JP-H02101011-A CARDIOTONIC AGENT TSUMURA & CO 1990-04-12 JP disclosed