SCHEMBL2200092

SCHEMBL2200092

O=C(O)C(O)C(OC(=O)[C@H](O)[C@@H](O)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SRC P12931 1/20 0.37
TP53 P04637 1/20 0.31
PGD P52209 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
HTT P42858 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDE4A P27815 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
SCHEMBL8145944 1.00 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL184960 1.00 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL5691242 1.00 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL5691239 1.00 TSHR (0.50) TSHRSRCTP53PGDMMP1
SCHEMBL29292859 0.98 TSHR (0.48) TSHRSRCTP53
SCHEMBL20565536 0.98 TSHR (0.48) TSHRSRCTP53
SCHEMBL11054851 0.98 TSHR (0.48) TSHRSRCTP53
SCHEMBL17338717 0.98 TSHR (0.48) TSHRSRCTP53
Hydrochloric Acid SCHEMBL4441219 0.98 TSHR (0.48) TSHRSRCTP53
SCHEMBL1431069 0.97 TSHR (0.45) TSHRSRCTP53PGDMMP1

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-7976732-B2 Electroconductive composition and electroconductive film forming method SUMITOMO METAL MINING CO., LTD. (JP) 2011-07-12 US disclosed