SCHEMBL4669684

SCHEMBL4669684

O=[N+]([O-])c1ccc(-c2cc[c]cc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
ALDH1A1 P00352 2/20 0.39
APP P05067 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GYS1 P13807 1/20 0.36

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
SCHEMBL11287223 0.85 AR (0.39) AKR1C3AKR1C2ALDH1A1APPCA1
Water SCHEMBL4793650 0.80 AKR1C3 (0.61) AKR1C3AKR1C2ABCC8KCNJ11ALDH1A1
SCHEMBL28283181 0.78 AKR1C3 (0.63) AKR1C3AKR1C2ABCC8KCNJ11ALDH1A1
SCHEMBL27915252 0.78 AKR1C3 (0.52) AKR1C3AKR1C2ABCC8KCNJ11ALDH1A1
SCHEMBL3636363 0.77 KIF11 (0.41) ALDH1A1APPARKIF11
SCHEMBL2433534 0.77 PDE3B (0.36) ALDH1A1KMT2AARKIF11MAPT
SCHEMBL7679539 0.76 ALDH1A1 (0.46) ALDH1A1APPCA1CA2CA9
SCHEMBL27208732 0.76 CA12 (0.42) ALDH1A1APPCA1CA2CA9
SCHEMBL11020287 0.76 HSD17B10 (0.42) ALDH1A1APPCA1CA2CA9
SCHEMBL1979148 0.76 KIF11 (0.43) APPARKIF11

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
EP-1999160-A2 ACRYLATED HYALURONIC ACID Novozymes Biopolymer A/S (DK) 2008-12-10 EP disclosed
WO-2007106738-A2 ACRYLATED HYALURONIC ACID NOVOZYMES BIOPOLYMER A/S (DK) 2007-09-20 WO disclosed