SCHEMBL9039587

SCHEMBL9039587

C=C(C)c1ccc(C(C)(C)NC(=O)OC2CCC(OC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NSD2 O96028 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PAX8 Q06710 1/20 0.48

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
SCHEMBL9039016 0.95 HTT (0.62) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9040917 0.91 TSHR (0.44) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9041153 0.82 MAPT (0.56) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9039626 0.81 LMNA (0.55) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9040509 0.81 LMNA (0.55) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9039505 0.81 MAPT (0.54) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9041002 0.81 MAPT (0.54) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9050115 0.81 MAPT (0.54) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9037893 0.81 MAPT (0.54) HTTL3MBTL1LMNAMAPTTSHR
SCHEMBL9040214 0.81 MAPT (0.54) HTTL3MBTL1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385456-B1 High surface hardness transparent resin and polymerizable monomer MITSUI TOATSU CHEMICALS (JP) 1996-09-04 EP disclosed
US-5440358-A Scratch, heat, chemical resistant crosslinked copolymer MITSUI TOATSU CHEMICALS, INC. (JP) 1995-08-08 US disclosed
US-5260439-A With acrylic ester MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-11-09 US disclosed
US-5084538-A HIGH SURFACE HARDNESS TRANSPARENT RESIN PREPARED FROM A COMPOUND HAVING AT LEAST ONE ISOPROPENYL PHENYL GROUP MITSUI TOATSU CHEMICALS, INC. (JP) 1992-01-28 US disclosed
EP-0385456-A2 High surface hardness transparent resin and polymerizable monomer MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-09-05 EP disclosed