SCHEMBL4647582

SCHEMBL4647582

CCOc1cccc(C=O)c1OC(=O)CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
SRC P12931 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TOP2A P11388 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAD52 P43351 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
SCHEMBL4642300 0.96 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4644179 0.92 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4645983 0.90 MEN1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4647819 0.89 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4647886 0.89 KMT2A (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4643882 0.87 SRC (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4645166 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4647832 0.86 TOP2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4642373 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4645078 0.83 SRC (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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