SCHEMBL9039016

SCHEMBL9039016

C=C(C)c1cccc(C(C)(C)NC(=O)OC2CCC(OC(=O)NC(C)(C)c3cccc(C(=C)C)c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 2/20 0.56
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
NSD2 O96028 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PAX8 Q06710 1/20 0.52

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
SCHEMBL9039587 0.95 HTT (0.57) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL9040917 0.84 TSHR (0.44) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL8534083 0.84 ALDH1A1 (0.64) HTTL3MBTL1TSHRMAPTALDH1A1
SCHEMBL4587487 0.82 SMN1; SMN2 (0.60) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL14418749 0.82 HTT (0.58) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL7592365 0.82 L3MBTL1 (0.60) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL10437296 0.82 L3MBTL1 (0.60) HTTL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL31591722 0.81 ALDH1A1 (0.67) HTTL3MBTL1TSHRMAPTALDH1A1
SCHEMBL16007003 0.81 ALDH1A1 (0.67) HTTL3MBTL1TSHRMAPTALDH1A1
SCHEMBL16007001 0.81 ALDH1A1 (0.67) HTTL3MBTL1TSHRMAPTALDH1A1

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