SCHEMBL4642145

SCHEMBL4642145

C[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 0.40
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
PLK1 P53350 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PAX8 Q06710 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4645063 0.84 NQO1 (0.56) PARP10NQO1ALDH1A1MEN1KMT2A
SCHEMBL4645356 0.82 PTGS2 (0.41) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL4643582 0.79 PTGS2 (0.39) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL4642531 0.76 PTGS2 (0.41) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL1683212 0.75 NQO1 (0.65) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL27619963 0.74 TOP2A (0.44) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL4642148 0.74 PTGS2 (0.41) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL16957540 0.73 LMNA (0.50) PTGS2KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4646323 0.73 KMT2A (0.42) PTGS2PARP10NQO1KDM4EALDH1A1
SCHEMBL16959062 0.73 MEN1 (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