SCHEMBL11944997

SCHEMBL11944997

CCN(CCOS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.46
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 6/20 0.42
BCHE P06276 1/20 0.42
CNR1 P21554 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL15250804 0.94 CA9 (0.48) CA9ACHEHSD17B10BCHEPKM
SCHEMBL15248964 0.92 CA9 (0.45) CA9ACHEHSD17B10BCHEPKM
SCHEMBL3577278 0.85 MAPT (0.51) CA9ACHEHSD17B10BCHEPKM
SCHEMBL19420444 0.83 CNR2 (0.51) CA9CNR2CNR1KMT2AMEN1
SCHEMBL13539287 0.82 ALDH1A1 (0.50) CNR2CNR1ALDH1A1KMT2AMEN1
SCHEMBL10963244 0.80 ALDH1A1 (0.37) CA9ALDH1A1KMT2AMEN1MAPT
SCHEMBL28999456 0.80 STAT3 (0.41) ALDH1A1KMT2AMEN1MAPT
SCHEMBL16770400 0.77 MMP14 (0.45) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL29740662 0.77 MAPT (0.57) ACHEHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL4033629 0.77 ACHE (0.55) ACHEHSD17B10BCHEPKMALDH1A1

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-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed