SCHEMBL4641848

SCHEMBL4641848

COc1ccc(Cl)c(OC(=O)CCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4644809 0.96 TDP1 (0.43) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4641814 0.91 TDP1 (0.46) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4646842 0.89 TDP1 (0.44) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4645456 0.87 TDP1 (0.43) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4641806 0.87 TDP1 (0.43) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4647220 0.85 TDP1 (0.49) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4643648 0.85 CA12 (0.50) ALDH1A1MAPTKMT2AHSD17B10LMNA
SCHEMBL4642055 0.85 TDP1 (0.44) TDP1ALDH1A1HSD17B10TP53NPC1
SCHEMBL4641715 0.84 TDP1 (0.45) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL4642607 0.82 MTNR1A (0.48) TDP1ALDH1A1MAPTKMT2AHSD17B10

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