SCHEMBL4643777

SCHEMBL4643777

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 3/20 0.33
FAAH O00519 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4641882 0.96 HTT (0.39) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4643773 0.89 HTT (0.36) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4644484 0.88 HTT (0.37) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4641878 0.88 HTT (0.37) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4642836 0.84 SMN1; SMN2 (0.41) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4642834 0.80 HTT (0.40) HTTSMN1; SMN2NPC1MAPTGRM5
SCHEMBL4645623 0.76 TSHR (0.42) NPC1MAPTGRM5RAB9AALDH1A1
SCHEMBL27601501 0.74 GRM5 (0.44) EPHX2NPC1MAPTGRM5RAB9A
SCHEMBL27620026 0.74 TSHR (0.44) NPC1MAPTGRM5RAB9AALDH1A1
SCHEMBL27619966 0.73 ALDH1A1 (0.46) EPHX2NPC1MAPTGRM5RAB9A

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