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Sugi Predict / Compounds / SCHEMBL4642037

SCHEMBL4642037

SCHEMBL4642037

CCC(OC(=O)/C=C/C(=O)OC)C(=O)OC(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ AKR1C3 P42330 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4644734 1.00 TDP1 (0.44) TDP1AKR1C3MAPTHCAR2TRPV1
SCHEMBL4644578 0.88 KLK7 (0.45) MAPTHCAR2SMN1; SMN2
SCHEMBL4647799 0.88 KLK7 (0.45) MAPTHCAR2SMN1; SMN2
SCHEMBL4641912 0.79 TSHR (0.43) MAPTHCAR2CTSL
SCHEMBL4641572 0.79 TSHR (0.43) MAPTHCAR2CTSL
SCHEMBL4642725 0.78 MAPT (0.50) MAPTHCAR2SMN1; SMN2
SCHEMBL4646779 0.78 MAPT (0.50) MAPTHCAR2SMN1; SMN2
SCHEMBL4647594 0.77 MAPT (0.46) TDP1AKR1C3MAPTHCAR2TRPV1
SCHEMBL4643581 0.77 MAPT (0.46) TDP1AKR1C3MAPTHCAR2TRPV1
SCHEMBL4642051 0.77 HCAR2 (0.52) TDP1HCAR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 — — EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 — — EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 — — WO disclosed