SCHEMBL4445465

SCHEMBL4445465

C=C(C)C(=O)OCCc1ccc2nn(-c3cc(C)ccc3O)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 6/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 2/20 0.35
YWHAG P61981 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7268063 0.96 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30039355 0.88 LMNA (0.36) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4443214 0.87 NPC1 (0.37) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL93485 0.87 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL29358846 0.87 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4442083 0.87 NPC1 (0.34) NPC1RAB9ALMNAAPPYWHAG
SCHEMBL29384829 0.87 LMNA (0.35) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL105442 0.87 LMNA (0.35) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL26489368 0.87 NPC1 (0.48) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30038851 0.86 NPC1 (0.33) NPC1RAB9ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed