SCHEMBL9563129

SCHEMBL9563129

CC1=CCC2C(=O)OC(=O)C2C1.O=C1OC(=O)C2CC=CCC12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.45
PGGT1B P53609 2/20 0.45
FNTB P49356 1/20 0.40
TSHR P16473 4/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 6/20 0.34
POLB P06746 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
APEX1 P27695 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL2265750 0.94 FNTA (0.49) FNTAPGGT1BFNTBTSHRGAA
SCHEMBL2265747 0.94 FNTA (0.49) FNTAPGGT1BFNTBTSHRGAA
SCHEMBL354462 0.94 FNTA (0.49) FNTAPGGT1BFNTBTSHRGAA
SCHEMBL11213545 0.80 FNTA (0.43) FNTAPGGT1BFNTBTSHRGAA
SCHEMBL10738419 0.79 FNTA (0.38) FNTAPGGT1BFNTBTSHRKMT2A
SCHEMBL169100 0.79 FNTA (0.38) FNTAPGGT1BFNTBTSHRKMT2A
SCHEMBL169099 0.79 FNTA (0.38) FNTAPGGT1BFNTBTSHRKMT2A
SCHEMBL13551917 0.79 FNTA (0.38) FNTAPGGT1BFNTBTSHRKMT2A
SCHEMBL10137608 0.79 FNTA (0.38) FNTAPGGT1BFNTBTSHRKMT2A
SCHEMBL11542394 0.79 TSHR (0.39) TSHRGAAKMT2AMEN1USP2

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
EP-0558905-A1 Aqueous coating compositions from polyethylene terephthalate THE SHERWIN-WILLIAMS COMPANY (US) 1993-09-08 EP claimed