SCHEMBL4642022

SCHEMBL4642022

CCCC(OC(=O)C=CC(=O)OCC)(C(=O)OC(C)=O)C(=O)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
MAPT P10636 6/20 0.35
MDM2 Q00987 2/20 0.35
MDM4 O15151 1/20 0.35
F2R P25116 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ESR1 P03372 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 1/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4644617 0.91 KMT2A (0.34) MAPTF2RALDH1A1NPC1RAB9A
SCHEMBL4644058 0.85 MAPT (0.42) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4642731 0.76 MAPT (0.43) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4643871 0.70 MAPT (0.47) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4645849 0.68 HCAR2 (0.41) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4146557 0.66 TSHR (0.47) LMNAMAPTF2RALDH1A1NPC1
SCHEMBL9510890 0.66 TSHR (0.47) LMNAMAPTF2RALDH1A1NPC1
SCHEMBL4643595 0.66 MAPT (0.44) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4644585 0.65 SRC (0.40) LMNAMAPTMDM2MDM4ALDH1A1
SCHEMBL4643653 0.64 HCAR2 (0.42) LMNAMAPTMDM2ALDH1A1CA12

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