SCHEMBL4641892

SCHEMBL4641892

O=C(CO)C(=O)Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
EGFR P00533 5/20 0.49
ERBB2 P04626 5/20 0.49
CTBP2 P56545 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL4644565 0.83 GAA (0.47) GAAEGFRERBB2CTBP2CES2
SCHEMBL4642049 0.81 GAA (0.48) GAAEGFRERBB2CTBP2CES2
SCHEMBL4641983 0.80 GAA (0.44) GAAEGFRERBB2CTBP2CES2
SCHEMBL5163933 0.80 GAA (0.52) GAAEGFRERBB2CTBP2TDP1
SCHEMBL3871526 0.80 CTBP2 (0.60) GAAEGFRERBB2CTBP2CES2
SCHEMBL4642091 0.79 GAA (0.43) GAAEGFRERBB2CTBP2CES2
SCHEMBL4647085 0.78 LMNA (0.52) EGFRERBB2CTBP2CES2CES1
SCHEMBL14813077 0.78 CA1 (0.50) GAAEGFRERBB2CTBP2CES2
SCHEMBL2792424 0.78 GAA (0.50) GAAEGFRERBB2CTBP2TDP1
SCHEMBL4645956 0.78 GAA (0.50) GAAEGFRERBB2CTBP2CES2

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