SCHEMBL3027656

SCHEMBL3027656

CCC=CCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
LMNA P02545 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
MEN1 O00255 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
SCHEMBL3027654 1.00 NR1I2 (0.42) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11342973 0.83 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B10ALOX15TSHR
SCHEMBL16213944 0.83 ALDH1A1 (0.39) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL26090841 0.81 NR1I2 (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL18984963 0.80 TSHR (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL18984962 0.80 TSHR (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL8990247 0.79 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10ALOX15LMNA
SCHEMBL29040694 0.79 GRIK1 (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL20214143 0.79 L3MBTL1 (0.35) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10943805 0.79 ALDH1A1 (0.32) ALDH1A1TDP1HSD17B10ALOX15LMNA

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
US-8198390-B2 Self assembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2012-06-12 US disclosed
US-20100204415-A1 SELFASSEMBLED GRAFTED POLYMERIC LAYER FOR USE IN BIOSENSOR TECHNOLOGY IMEC (BE) 2010-08-12 US disclosed
US-7728094-B2 Selfassembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2010-06-01 US disclosed
US-20060252094-A1 Selfassembled grafted polymeric layer for use in biosensor technology IMEC (BE) 2006-11-09 US disclosed
US-5110914-A Ion exchanging UNIVERSITY OF MIAMI (US) 1992-05-05 US disclosed
US-5086167-A Ion exchanging with a ligand/matrix using a combination of pi-electron and electrostatic interaction of the ligand and ionic amino acids UNIVERSITY OF MIAMI (US) 1992-02-04 US disclosed
EP-0371746-A2 Method of separating proteins UNIVERSITY OF MIAMI (US) 1990-06-06 EP disclosed