SCHEMBL4644831

SCHEMBL4644831

CC[CH]C(=O)Oc1ccccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.58
KMT2A Q03164 4/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A4 P31645 1/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CFTR P13569 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4642134 0.88 SLC6A3 (0.55) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL28398990 0.83 HSD17B10 (0.66) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL4647858 0.82 SLC6A3 (0.63) SLC6A3KMT2AHTTMAPTL3MBTL1
Methyl Salicylate Acrylic Ester SCHEMBL1054590 0.81 SLC6A3 (0.61) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL4102064 0.81 MAPT (0.54) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL4102059 0.81 MAPT (0.54) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL4641966 0.80 POLB (0.47) KMT2AHTTMAPTL3MBTL1PRSS1
SCHEMBL26500621 0.79 SLC6A3 (0.59) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL7952969 0.79 SLC6A3 (0.63) SLC6A3KMT2AHTTMAPTL3MBTL1
SCHEMBL7864700 0.78 SLC6A3 (0.67) SLC6A3KMT2AHTTMAPTL3MBTL1

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