SCHEMBL4646083

SCHEMBL4646083

COC(=O)/C=C\C(=O)OCCC(=O)OC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KLK7 P49862 5/20 0.46
HTT P42858 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4646096 1.00 ALDH1A1 (0.47) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4645493 0.91 KMT2A (0.46) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4642007 0.91 KMT2A (0.46) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4642015 0.91 KMT2A (0.46) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4646919 0.87 KLK7 (0.51) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4642387 0.87 KLK7 (0.51) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4642399 0.87 KLK7 (0.51) ALDH1A1GAAKLK7HTTTRPV1
SCHEMBL4648063 0.87 HCAR2 (0.48) ALDH1A1LMNATDP1
SCHEMBL4645111 0.87 HCAR2 (0.48) ALDH1A1LMNATDP1
SCHEMBL4645129 0.87 HCAR2 (0.48) ALDH1A1LMNATDP1

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