SCHEMBL1741105

SCHEMBL1741105

C1=CC2CC1C(c1ccccc1)(c1ccccc1)C2(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.39
MAOA P21397 9/20 0.39
KDM1A O60341 6/20 0.39
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL7189105 0.82 SMN1; SMN2 (0.37) MAOBMAOAKDM1A
SCHEMBL1732686 0.72 OPRM1 (0.33) MAOBMAOAKDM1AOPRL1OPRM1
SCHEMBL7543266 0.69 MAOB (0.33) MAOBMAOAKDM1AGRIN2DGRIN3B
SCHEMBL16536173 0.68
SCHEMBL11740261 0.67 MAOB (0.36) MAOBMAOAKDM1AOPRL1OPRM1
SCHEMBL6528313 0.65 MAOA (0.41) MAOBMAOAKDM1A
SCHEMBL1732130 0.65 MAOB (0.52) MAOBMAOAKDM1A
SCHEMBL231895 0.65 MAOA (0.41) MAOBMAOAKDM1A
SCHEMBL1733750 0.65 MAOB (0.34) MAOBMAOAKDM1AOPRM1GRIN2D
SCHEMBL745582 0.65 PTGS2 (0.44) MAOBMAOAOPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390690-A1 INVERSELY DISPERSIVE RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME JX Nippon Oil & Energy Corporation (JP) 2011-11-30 EP disclosed