SCHEMBL7055256

SCHEMBL7055256

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.33
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6247244 0.82 TSHR (0.64) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL623935 0.80 MGAM (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL5474403 0.79 GAA (0.40) TSHRGAAMGAMSIMGAM2
SCHEMBL1898254 0.77 MGAM (0.52) TSHRGAAMGAMSIMGAM2
SCHEMBL6292361 0.77 TSHR (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL30059382 0.77 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL7678018 0.77 TSHR (0.68) TSHRGAAALDH1A1PPARGNCOA2
SCHEMBL472554 0.77 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL5143366 0.76 GAA (0.38) TSHRGAAMGAMSIMGAM2
SCHEMBL27551575 0.75 TSHR (0.48) TSHRGAAMGAMSIMGAM2

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
EP-1034229-B1 COATING COMPOSITIONS CONTAINING A HIGHLY FLUORINATED POLYMERIC ADDITIVE DU PONT (US) 2003-05-07 EP disclosed
EP-1034229-A1 COATING COMPOSITIONS CONTAINING A HIGHLY FLUORINATED POLYMERIC ADDITIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-13 EP disclosed
US-5948851-A HYDROXY-CONTAINING ACRYLIC COPOLYMER, FLUORINATED ACRYLIC COPOLYMER, CROSSLINKING AGENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-07 US disclosed
WO-1999027025-A1 COATING COMPOSITIONS CONTAINING A HIGHLY FLUORINATED POLYMERIC ADDITIVE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-03 WO disclosed