SCHEMBL4645063

SCHEMBL4645063

C[CH]C(=O)Oc1ccc(OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
PARP10 Q53GL7 1/20 0.53
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.50
PLK1 P53350 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PLA2G4B P0C869 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LTA4H P09960 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL4642145 0.84 PTGS2 (0.41) NQO1PARP10KMT2ALMNATDP1
SCHEMBL4646732 0.82 NQO1 (0.54) NQO1PARP10KMT2ALMNATDP1
SCHEMBL2145636 0.82 THRB (0.64) NQO1PARP10KMT2ALMNATDP1
SCHEMBL27853482 0.81 NQO1 (0.64) NQO1PARP10KMT2ALMNATDP1
SCHEMBL3419802 0.81 NQO1 (0.64) NQO1PARP10KMT2ALMNATDP1
SCHEMBL4647636 0.79 NQO1 (0.50) NQO1PARP10KMT2ALMNATDP1
SCHEMBL7166940 0.79 NQO1 (0.61) NQO1PARP10KMT2ALMNATDP1
SCHEMBL3234922 0.79 NQO1 (0.61) NQO1PARP10KMT2ALMNATDP1
SCHEMBL9668859 0.79 NQO1 (0.61) NQO1PARP10KMT2ALMNATDP1
SCHEMBL16760989 0.78 THRB (0.58) NQO1PARP10KMT2ALMNATDP1

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