SCHEMBL9038945

SCHEMBL9038945

C=C(C)c1ccc(C(C)(C)NC(=O)OCC(C)(CC)COC(=O)NC(C)(C)c2cccc(C(=C)C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
ALPL P05186 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL9038740 0.96 SMN1; SMN2 (0.53) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9039505 0.94 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9037893 0.94 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9037810 0.91 TSHR (0.46) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9040214 0.90 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9041567 0.90 L3MBTL1 (0.56) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9041153 0.88 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9040927 0.86 MAPT (0.50) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9041002 0.85 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9050115 0.85 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1

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