SCHEMBL4642836

SCHEMBL4642836

O=C(COCc1ccccc1)C(=O)COOCC(=O)C(=O)C(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 4/20 0.38
TACR1 P25103 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC1A1 P43005 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4642834 0.88 HTT (0.40) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4641882 0.85 HTT (0.39) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4643777 0.84 HTT (0.38) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4644484 0.83 HTT (0.37) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4641878 0.83 HTT (0.37) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4643773 0.82 HTT (0.36) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4642422 0.75 ALDH1A1 (0.45) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL4645447 0.74 TSHR (0.50) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL7272116 0.71 TSHR (0.56) SMN1; SMN2NPC1MAPTALDH1A1TSHR
SCHEMBL4644792 0.71 TSHR (0.47) NPC1MAPTALDH1A1TSHRGRM5

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