SCHEMBL4644146

SCHEMBL4644146

O=Cc1ccccc1OC(=O)CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
SRC P12931 2/20 0.46
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP2A P11388 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4642152 0.90 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4644068 0.89 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4644461 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4642175 0.84 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL1201154 0.83 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4647759 0.83 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4643449 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL2762750 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4642700 0.81 SRC (0.52) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4642180 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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