SCHEMBL4643741

SCHEMBL4643741

O=C(CCCl)C(=O)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4647363 0.88 KMT2A (0.37) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL4644285 0.86 KMT2A (0.36) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL4642029 0.82 EPHX1 (0.42) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL7085369 0.81 EPHX1 (0.54) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL4641499 0.80 HPGD (0.41) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL11484764 0.80 HPGD (0.41) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL28752229 0.78 KMT2A (0.36) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL4644513 0.77 HPGD (0.38) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL4642050 0.75 HPGD (0.37) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL6553823 0.75 EPHX1 (0.37) KMT2AHPGDEPHX1EPHX2NPC1

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