SCHEMBL4646323

SCHEMBL4646323

CCOc1cc(OCC)cc(OC(=O)CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.40
PARP10 Q53GL7 1/20 0.38
ACACB O00763 2/20 0.38
NQO1 P15559 1/20 0.37
KDM4E B2RXH2 1/20 0.37
VCAM1 P19320 1/20 0.36
PLK1 P53350 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 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
SCHEMBL4645092 0.89 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4644551 0.88 KMT2A (0.40) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4648056 0.85 KMT2A (0.56) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4642531 0.85 PTGS2 (0.41) KMT2AMEN1LMNAALDH1A1PTGS2
SCHEMBL4641756 0.84 TOP2A (0.47) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4645362 0.84 KMT2A (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4643585 0.82 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4644120 0.82 NPC1 (0.41) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4641904 0.81 KMT2A (0.40) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL27619990 0.80 NPC1 (0.42) KMT2AMEN1HTTLMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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