SCHEMBL5328752

SCHEMBL5328752

C=CC(=O)OC(C)(C)CCNc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 3/20 0.37
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
RIPK1 Q13546 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL29023306 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL988048 0.74 THRB (0.57) TGM2ALDH1A1CYP3A4THRBMAPT
SCHEMBL3248705 0.74 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL4590512 0.74 TSHR (0.40) ALDH1A1CYP3A4THRBSMN1; SMN2GAA
SCHEMBL13785180 0.73 THRB (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3169549 0.73 CYP2C19 (0.46) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11572061 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19RIPK1
SCHEMBL19457210 0.72 MAPK1 (0.36) ALDH1A1CYP3A4SMN1; SMN2KDM4EHPGD
SCHEMBL30098565 0.72 THRB (0.54) TGM2ALDH1A1CYP3A4THRBMAPT
SCHEMBL10627202 0.72 THRB (0.43) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044184-A1 WATER SOLUBLE PHOTOINITIATOR ALBEMARLE CORPORATION (US) 2007-04-19 WO disclosed