SCHEMBL4644240

SCHEMBL4644240

CCOc1ccc(OC(=O)CCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.53
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NQO1 P15559 1/20 0.48
PARP10 Q53GL7 1/20 0.47
POLB P06746 2/20 0.46
RAB9A P51151 1/20 0.45
PLK1 P53350 1/20 0.45
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44

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
SCHEMBL4644105 0.95 KMT2A (0.52) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4648056 0.89 KMT2A (0.56) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644529 0.86 KMT2A (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4647638 0.86 KMT2A (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4645092 0.86 NPC1 (0.41) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4644350 0.85 KMT2A (0.52) KMT2AMEN1NPC1HTTLMNA
SCHEMBL20703605 0.84 BCL9 (0.60) KMT2AMEN1NPC1HTTLMNA
SCHEMBL27619982 0.83 NPC1 (0.54) KMT2AMEN1NPC1HTTLMNA
SCHEMBL4643387 0.82 KMT2A (0.58) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL4642336 0.82 NQO1 (0.56) KMT2AMEN1NPC1LMNAALDH1A1

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