SCHEMBL27928848

SCHEMBL27928848

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
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
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL1263837 0.84 TSHR (0.43) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL16401951 0.84 TSHR (0.43) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL21954760 0.77 TSHR (0.38) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL27805163 0.76 OR51E2 (0.31) LMNA
SCHEMBL1001815 0.73 PDE4A (0.50) LMNA
SCHEMBL7114338 0.73 TP53 (0.44) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL2909111 0.73 ALDH1A1 (0.46) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL28211257 0.71 TP53 (0.42) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL27484021 0.71 TP53 (0.42) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL9435536 0.71 TP53 (0.38) TSHRTP53MMP1MMP2MMP3

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
CN-103432091-A Improved-performance tablet and preparation method thereof ZHONG SHUGUANG 2013-12-11 CN claimed
CN-102258785-B Slow-release drug carrier ZHONG SHUGUANG 2013-07-24 CN claimed