SCHEMBL9040917

SCHEMBL9040917

C=C(C)c1ccc(C(C)(C)NC(=O)OC2CCC(OC(=O)NC(C)(C)c3ccc(C(=C)C)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.43
ACACB O00763 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NSD2 O96028 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PAX8 Q06710 1/20 0.36

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 0.91 HTT (0.57) TSHRHTTNPSR1L3MBTL1MAPT
SCHEMBL9039016 0.84 HTT (0.62) TSHRHTTNPSR1L3MBTL1MAPT
SCHEMBL8061740 0.78 TSHR (0.50) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL9039186 0.77 TSHR (0.46) TSHRHTTNPSR1L3MBTL1MAPT
SCHEMBL9038955 0.77 TSHR (0.49) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL15198381 0.76 TSHR (0.34) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL25519601 0.76 TSHR (0.37) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL9038944 0.76 TSHR (0.48) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL9038592 0.76 TSHR (0.48) TSHRHTTACACBNPSR1L3MBTL1
SCHEMBL9039974 0.76 TSHR (0.48) TSHRHTTACACBNPSR1L3MBTL1

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