SCHEMBL536802

SCHEMBL536802

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 3/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A3 Q01959 2/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2482828 0.81 RAB9A (0.43) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL2482835 0.81 RAB9A (0.43) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL2482831 0.81 RAB9A (0.43) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL8171703 0.80 SLC6A3 (0.34) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL1811076 0.79
SCHEMBL17074314 0.76 SLC6A3 (0.45) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL4411156 0.75 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL1581435 0.74 SLC6A3 (0.38) HPGDSMN1; SMN2ALDH1A1SLC6A3KMT2A
SCHEMBL27901822 0.71 ALDH1A1 (0.34) HPGDSMN1; SMN2ALDH1A1L3MBTL1SLC6A3
SCHEMBL28583502 0.71 EPHX1 (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1

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