SCHEMBL4038709

SCHEMBL4038709

CC(C)Oc1ccc(N)cc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSNK2A1 P68400 2/20 0.38
TLR8 Q9NR97 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NR4A1 P22736 1/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 6/20 0.35
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
MCHR1 Q99705 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL2088008 1.00 GAA (0.43) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7325807 0.90 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL3126016 0.90 GAA (0.41) GAAALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10607534 0.88 ALDH1A1 (0.53) GAAALDH1A1MEN1KMT2ACSNK2A1
SCHEMBL4323659 0.83 KDM4E (0.49) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4321731 0.83 KDM4E (0.53) GAAALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17631179 0.81 GAA (0.56) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2371617 0.81 MAPT (0.55) GAAALDH1A1SMN1; SMN2CSNK2A1MAPT
SCHEMBL1010304 0.81 KDM4E (0.50) GAAALDH1A1CSNK2A1MAPTKDM4E
SCHEMBL21709998 0.79 ALDH1A1 (0.46) GAAALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527753-B2 Blend of a crystalline homo- or copolymer of a C 18+ alkyl (meth)acrylate and a noncrystalline homo- or copolymer of a C 1-12 alkyl (meth)acrylate and containing a filler; low thermal resistance, and good releasability after service; radiators to allow heat to escape from electronics such as computers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-05 US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20060249714-A1 Blend of a crystalline homo- or copolymer of a C 18+ alkyl (meth)acrylate and a noncrystalline homo- or copolymer of a C 1-12 alkyl (meth)acrylate and containing a filler; low thermal resistance, and good releasability after service; radiators to allow heat to escape from electronics such as computers 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
EP-1615970-B1 ACRYLIC-BASED THERMALLY CONDUCTIVE COMPOSITION AND THERMALLY CONDUCTIVE SHEET 3M INNOVATIVE PROPERTIES CO (US) 2006-08-02 EP disclosed