SCHEMBL16744179

SCHEMBL16744179

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL11337345 0.87 TP53 (0.40) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL10029276 0.78 SLC1A3 (0.48) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL16745705 0.78 TP53 (0.39) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL11578026 0.78 MMP1 (0.42) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL375633 0.78 TP53 (0.47) TP53CYP1A2GAACYP2C9PKM
SCHEMBL26110798 0.75 TP53 (0.44) TP53CYP1A2GAACYP2C9PKM
SCHEMBL17010828 0.74 SLC1A3 (0.54) TP53SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL17010830 0.73 SMN1; SMN2 (0.36) SLC1A3SLC1A2SLC1A1MMP1MMP2
SCHEMBL989972 0.73
SCHEMBL28632671 0.73

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
US-20150147558-A1 OXIDIZED CELLULOSE-BASED MATERIAL, METHOD FOR OBTAINING SAME AND USE THEREOF AS COMPRESS SYMATESE (FR) 2015-05-28 US disclosed