SCHEMBL5028989

SCHEMBL5028989

[CH2]CCC1(Cc2ccccc2)COC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
OPRM1 P35372 3/20 0.34
OPRL1 P41146 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 4/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRK1 P41145 1/20 0.30

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
SCHEMBL5033134 0.85 MAOA (0.41) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL29228003 0.79 MAOA (0.42) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL1714866 0.77 GAA (0.43) MAOAMAOBL3MBTL1MEN1GAA
SCHEMBL28293435 0.73 MAOA (0.45) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL16245105 0.73 MAOA (0.37) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL5028981 0.72 MAOA (0.43) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL15130231 0.71 MAOA (0.36) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL2582409 0.70 MAOA (0.38) MAOAMAOBOPRM1OPRL1L3MBTL1
SCHEMBL3376619 0.70 CYP2C9 (0.38) GAAKDM4EMAPTHTTNPSR1
SCHEMBL13028028 0.70 MMP12 (0.32) MAOAMAOBOPRM1OPRL1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902829-B1 THREE-DIMENSIONAL SHAPED ITEM WITH SMOOTHED MOLDING END FACE CMET INC (JP) 2015-04-08 EP disclosed
EP-1902829-A1 THREE-DIMENSIONAL SHAPED ITEM WITH SMOOTHED MOLDING END FACE Cmet Inc. (JP) 2008-03-26 EP disclosed