SCHEMBL536801

SCHEMBL536801

C/C(C(=O)O)=C(/C)C1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 6/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL536803 1.00 NOS2 (0.41) NOS2MEN1KMT2AHPGDGAA
SCHEMBL1822238 0.90 MEN1 (0.30) MEN1KMT2A
SCHEMBL4204012 0.90 MEN1 (0.30) MEN1KMT2A
Oxalic Acid SCHEMBL29039002 0.81 NOS2 (0.47) NOS2MEN1KMT2AHPGDGAA
SCHEMBL2321562 0.76
SCHEMBL17688357 0.76
SCHEMBL5771317 0.76
SCHEMBL890174 0.76
SCHEMBL11666409 0.75
Bromide SCHEMBL6143076 0.74

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-2405860-B1 OPHTHALMOLOGICAL COMPOSITION AND OPHTHALMOLOGICAL LENS ZEISS CARL MEDITEC AG (DE) 2013-09-25 EP disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-2225293-B1 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION ZEISS CARL MEDITEC AG (DE) 2012-02-08 EP disclosed
US-20110028667-A1 Copolymer and Ophthalmological Composition *ACRI.TEC GMBH (DE) 2011-02-03 US disclosed
EP-2225293-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *Acri. Tec GmbH (DE) 2010-09-08 EP disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
WO-2009074520-A2 COPOLYMER AND OPHTHALMOLOGICAL COMPOSITION *ACRI.TEC GMBH (DE) 2009-06-18 WO disclosed