SCHEMBL28293435

SCHEMBL28293435

c1ccc(CC2(Cc3ccccc3)CCOC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
OPRM1 P35372 4/20 0.39
OPRL1 P41146 4/20 0.39
HTT P42858 1/20 0.38
OPRK1 P41145 2/20 0.35
KDM1A O60341 3/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
OPRD1 P41143 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
SCHEMBL29017486 0.89 GAA (0.43) MAOAMAOBGAAMEN1KMT2A
SCHEMBL29017327 0.89 GAA (0.43) MAOAMAOBGAAMEN1KMT2A
SCHEMBL2582409 0.81 MAOA (0.38) MAOAMAOBGAAMEN1KMT2A
SCHEMBL29228003 0.78 MAOA (0.42) MAOAMAOBGAAMEN1KMT2A
SCHEMBL1714866 0.76 GAA (0.43) MAOAMAOBGAAMEN1KMT2A
SCHEMBL5033134 0.76 MAOA (0.41) MAOAMAOBGAAMEN1KMT2A
SCHEMBL5028989 0.73 MAOA (0.38) MAOAMAOBGAAMEN1KMT2A
SCHEMBL12038274 0.72 MAOA (0.73) MAOAMAOBGAAMEN1KMT2A
SCHEMBL8406860 0.72 OPRL1 (0.51) MAOAMAOBOPRM1OPRL1OPRK1
SCHEMBL16245105 0.72 MAOA (0.37) MAOAMAOBGAAMEN1KMT2A

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
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 claimed
CN-110426765-A A kind of multilayer Terahertz inhales the preparation method of the compound carbon fiber board of wave TAICANG BIQI NEW MATERIAL RES & DEVELOPMENT CO LTD 2019-11-08 CN disclosed
CN-110426765-A A kind of multilayer Terahertz inhales the preparation method of the compound carbon fiber board of wave TAICANG BIQI NEW MATERIAL RES & DEVELOPMENT CO LTD 2019-11-08 CN disclosed
CN-109942596-A A kind of synthetic method of thiolactone 上海理工大学 2019-06-28 CN 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