SCHEMBL1370185

SCHEMBL1370185

CC(=CF)C(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
NLRP3 Q96P20 1/20 0.47
ESRRG P62508 5/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
PARP1 P09874 1/20 0.44
GPR35 Q9HC97 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
BTK Q06187 1/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL390106 0.80 TDP1 (0.64) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL8930 0.79 ALDH1A1 (0.59) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL23199033 0.75 TDP1 (0.54) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL2564353 0.74 TRPV1 (0.52) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL3783971 0.73 NLRP3 (0.59) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL6339307 0.73 NLRP3 (0.52) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL14756765 0.73 NLRP3 (0.56) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL11349846 0.73 TRPV1 (0.51) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL13715294 0.73 TAS2R38 (0.53) TRPV1NLRP3ESRRGESR1ESR2
SCHEMBL15150648 0.73 TRPV1 (0.55) TRPV1NLRP3ESRRGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522679-B1 PHENYLBORONIC ACID MONOMER AND PHENYLBORONIC ACID POLYMER NAT INST FOR MATERIALS SCIENCE (JP) 2016-07-13 EP disclosed
US-8241574-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2012-08-14 US disclosed
US-20110286064-A1 OPHTHALMIC DEVICE COMPRISING A HOLOGRAPHIC SENSOR BURLES BARRY (GB) 2011-11-24 US disclosed
US-7998412-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-08-16 US disclosed
US-20090021697-A1 Ophthalmic Device Comprising a Holographic Sensor SMART HOLOGRAMS LIMITED (GB) 2009-01-22 US disclosed
EP-1664909-A1 OPHTHALMIC DEVICE COMPRISING A HOLOGRAPHIC SENSOR Smart Holograms Limited (GB) 2006-06-07 EP disclosed
WO-2005031442-A1 OPHTHALMIC DEVICE COMPRISING A HOLOGRAPHIC SENSOR SMART HOLOGRAMS LIMITED (GB) 2005-04-07 WO disclosed