SCHEMBL4824469

SCHEMBL4824469

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
FDPS P14324 1/20 0.41
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
RECQL P46063 2/20 0.38
MMP8 P22894 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A2 P23975 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 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
SCHEMBL2678813 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL30474396 0.80 ALDH1A1 (0.46) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL30503782 0.79 ALDH1A1 (0.44) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL28536864 0.77 CES1 (0.51) SMN1; SMN2HIF1AALDH1A1PTPN1PTPN2
SCHEMBL4824441 0.77 CYP3A4 (0.47) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL27488524 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL8502636 0.74 FDPS (0.50) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL28007827 0.73 TSHR (0.40) SMN1; SMN2HIF1AALDH1A1PTPN1PTPN2
SCHEMBL19154310 0.73 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19
SCHEMBL9354977 0.73 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AALDH1A1CYP2C9CYP2C19

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