SCHEMBL963678

SCHEMBL963678

CCCCOC(=O)C1=CCC(C)(C(=O)OCCCC)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 8/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL960889 0.91 ALDH1A1 (0.40) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL962304 0.82 BRD4 (0.43) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL8914557 0.74 TSHR (0.36) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL48333 0.72 TSHR (0.53) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL819184 0.71 TSHR (0.49) TSHRL3MBTL1TDP1ESR1LMNA
Water SCHEMBL15653959 0.70 TSHR (0.51) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL23199851 0.70 ALDH1A1 (0.47) TSHRL3MBTL1TDP1LMNAMAPK1
SCHEMBL16748755 0.70 ALDH1A1 (0.47) TSHRL3MBTL1TDP1LMNAMAPK1
SCHEMBL3011426 0.68 ALDH1A1 (0.45) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL16391280 0.68 ALDH1A1 (0.45) TSHRL3MBTL1TDP1LMNAMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617424-B1 DIFFRACTION OPTICAL DEVICE AND OPTICAL PICKUP DEVICE USING THE SAME KONICA MINOLTA OPTO INC (JP) 2012-08-15 EP disclosed
US-20110111256-A1 Optical Element, Method for Producing Optical Element, and Method for Manufacturing Electronic Device KONICA MINOLTA OPTO, INC. (JP) 2011-05-12 US disclosed
US-20110006447-A1 Method for Producing Hybrid Optical Element Grouping KONICA MINOLTA OPTO, INC. (JP) 2011-01-13 US disclosed
EP-2202739-A1 Diffraction optical device and optical pickup device using the same Konica Minolta Opto, Inc. (JP) 2010-06-30 EP disclosed
US-20080310284-A1 DIFFRACTIVE OPTICAL ELEMENT AND OPTICAL PICKUP APPARATUS KONICA MINOLTA OPTO, INC. (JP) 2008-12-18 US disclosed
EP-1617424-A1 DIFFRACTION OPTICAL DEVICE AND OPTICAL PICKUP DEVICE USING THE SAME Konica Minolta Opto, Inc. (JP) 2006-01-18 EP disclosed