SCHEMBL4824441

SCHEMBL4824441

C=C(C(=O)O)C(C)(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
FDPS P14324 1/20 0.44
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
RIPK1 Q13546 3/20 0.42
TRPA1 O75762 1/20 0.42
MMP8 P22894 4/20 0.41
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6670855 0.80 SMN1; SMN2 (0.48) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1147656 0.79 SLC6A2 (0.52) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL517462 0.79 SMN1; SMN2 (0.57) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8502636 0.78 FDPS (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28246706 0.78 HIF1A (0.55) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6552350 0.78 SMN1; SMN2 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28727407 0.78 SMN1; SMN2 (0.55) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL6722173 0.78 SMN1; SMN2 (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8759 0.78 SLC6A2 (0.56) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL19154310 0.77 SMN1; SMN2 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442553-B2 Method for determining the amount of the maleimidyl groups of a particle FUJI XEROX CO., LTD. (JP) 2008-10-28 US disclosed
US-20060051871-A1 Method for determining the amount of the maleimidyl groups of a particle FUJI XEROX CO., LTD. 2006-03-09 US disclosed