SCHEMBL11149288

SCHEMBL11149288

COC(O)C(OCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
PGD P52209 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11340381 0.79 TSHR (0.41) SLC1A3SLC1A2SLC1A1TSHRCTH
SCHEMBL514701 0.76 TSHR (0.41) SLC1A3SLC1A2SLC1A1TSHRCTH
SCHEMBL11579383 0.74 MMP1 (0.36) SLC1A3SLC1A2SLC1A1TSHRCTH
SCHEMBL10774258 0.72 PDE4A (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL29504892 0.71 TSHR (0.35) SLC1A3SLC1A2SLC1A1TSHRCTH
SCHEMBL223598 0.70 TSHR (0.33) TSHRCTHCBSTHPOTHRB
Acetic Acid SCHEMBL11147585 0.70 TSHR (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL11578982 0.69 MMP1 (0.33) TSHRCTHCBSTHPOMMP1
SCHEMBL226532 0.69
SCHEMBL11149410 0.68 ALDH1A1 (0.34) TSHRCTHCBSTHPOTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4382871-A DICARBOXYLIC ACID ETHERS AS BUILDERS LEVER BROTHERS COMPANY (US) 1983-05-10 US disclosed
US-4260513-A BUILDERS LEVER BROTHERS COMPANY (US) 1981-04-07 US disclosed
US-4228027-A Detergent compositions LEVER BROTHERS COMPANY (US) 1980-10-14 US disclosed
US-4025450-A OXYDIACETATE SALT BUILDER LEVER BROTHERS COMPANY (US) 1977-05-24 US disclosed