SCHEMBL4645356

SCHEMBL4645356

CC[CH]C(=O)Oc1cc(OCC)cc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PARP10 Q53GL7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO1 P15559 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
PLK1 P53350 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4643582 0.85 PTGS2 (0.39) PTGS2PARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4646732 0.85 NQO1 (0.54) PARP10ALDH1A1NQO1MEN1KMT2A
SCHEMBL4642145 0.82 PTGS2 (0.41) PTGS2PARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4645779 0.78 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL4642531 0.74 PTGS2 (0.41) PTGS2PARP10KDM4EALDH1A1NQO1
SCHEMBL1683212 0.73 NQO1 (0.65) PTGS2PARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL4642148 0.73 PTGS2 (0.41) PTGS2PARP10KDM4EALDH1A1NQO1
SCHEMBL27619963 0.73 TOP2A (0.44) PTGS2PARP10KDM4EALDH1A1SMN1; SMN2
SCHEMBL5612980 0.72 ZDHHC2 (0.46) ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL16957540 0.72 LMNA (0.50) PTGS2KDM4EALDH1A1SMN1; SMN2MEN1

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