SCHEMBL6090266

SCHEMBL6090266

Cc1cccc(COc2cccc(OCCc3ccccn3)c2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
PPARG P37231 2/20 0.42
GPR132 Q9UNW8 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NR4A2 P43354 1/20 0.41
KCNA5 P22460 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6089761 0.91 GPR132 (0.49) SLC26A4KDM4ETDP1PPARGGPR132
SCHEMBL6089174 0.89 NPC1 (0.43) KDM4ETDP1PPARGNPC1RAB9A
SCHEMBL6089251 0.85 SLC26A4 (0.49) SLC26A4PPARGNPC1RAB9ANR4A2
SCHEMBL6088500 0.85 PTGDR2 (0.46) KDM4ETDP1PPARGGPR132NPC1
SCHEMBL6090336 0.83 CYSLTR1 (0.58)
SCHEMBL6090860 0.83 PPARG (0.44) SLC26A4TDP1PPARGNPC1PTGER4
SCHEMBL6091097 0.83 GPR132 (0.47) SLC26A4KDM4EGPR132NPC1RAB9A
SCHEMBL6088674 0.82 SLC26A4 (0.63) SLC26A4TDP1NPC1RAB9ANR4A2
SCHEMBL6088689 0.80 NPC1 (0.46) KDM4ETDP1GPR132NPC1RAB9A
SCHEMBL4450809 0.80 NR4A2 (0.58) SLC26A4KDM4ENR4A2PTGER4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110430-A1 Copolymerizable azo compounds and articles containing them Johnson & Johnson Surgical Vision, Inc. 2006-05-25 US disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed