SCHEMBL9040317

SCHEMBL9040317

C=C(C)c1ccc(C(C)(C)NC(=O)OC(C)CCC(C)OC(=O)NC(C)(C)c2ccc(C(=C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9039656 0.91 TSHR (0.42) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9039169 0.91 LMNA (0.52) TSHRLMNAMAPTALDH1A1HTT
SCHEMBL9040276 0.88 TSHR (0.44) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9038955 0.87 TSHR (0.49) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9377372 0.86 TSHR (0.42) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9039714 0.85 L3MBTL1 (0.54) TSHRLMNAMAPTALDH1A1HTT
SCHEMBL9246747 0.84 LMNA (0.47) TSHRLMNAMAPTALDH1A1HTT
SCHEMBL11893318 0.82 TSHR (0.42) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9244870 0.82 TSHR (0.43) TSHRNPSR1LMNAMAPTALDH1A1
SCHEMBL9039764 0.82 TSHR (0.45) TSHRNPSR1LMNAMAPTALDH1A1

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