SCHEMBL4644529

SCHEMBL4644529

CCOc1ccc(OC(=O)CCCCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 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
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
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
SCHEMBL4644350 0.95 KMT2A (0.52) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4643454 0.91 KMT2A (0.55) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL27619982 0.87 NPC1 (0.54) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4644240 0.86 KMT2A (0.54) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4647638 0.86 KMT2A (0.54) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4644120 0.86 NPC1 (0.41) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4644105 0.85 KMT2A (0.52) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL11072170 0.84 KMT2A (0.55) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL4644919 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL20703605 0.84 BCL9 (0.60) KMT2AMEN1NPC1ALDH1A1HTT

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
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