SCHEMBL699090

SCHEMBL699090

O=C(C=Cc1ccccc1)O[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
BCHE P06276 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TNKS O95271 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL3255142 0.85 TRPM8 (0.51) CYP2C19TRPM8LMNAMAPTHDAC3
SCHEMBL2518038 0.85 TRPM8 (0.51) CYP2C19TRPM8LMNAMAPTHDAC3
SCHEMBL30380143 0.85 CYP2C19 (0.43) CYP2C19BCHETRPM8LMNAMAPT
SCHEMBL701486 0.84 USP2 (0.52) CYP2C19LMNAHDAC2CYP1A2CYP2D6
SCHEMBL28731805 0.83 KMT2A (0.51) CYP2C19BCHETRPM8LMNAMAPT
SCHEMBL18364671 0.83 HTT (0.61) BCHETRPM8LMNAMAPTHDAC3
SCHEMBL30539502 0.82 BCHE (0.55) CYP2C19BCHELMNAMAPTHDAC3
SCHEMBL23707006 0.80 MAPT (0.57) CYP2C19BCHELMNAMAPTHDAC3
SCHEMBL19821134 0.80 BCHE (0.73) CYP2C19BCHELMNAMAPTHDAC3
SCHEMBL26273017 0.80 BCHE (0.73) CYP2C19BCHELMNAMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2466582-B1 Optical Data Storage Media And Methods For Using The Same GEN ELECTRIC (US) 2014-02-26 EP disclosed
EP-2423917-B1 Use of chemically bonded dyes in holographic data storage media GEN ELECTRIC (US) 2013-08-07 EP disclosed
EP-2290651-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-10-10 EP disclosed
EP-2290408-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-08-15 EP disclosed
EP-2466582-A1 Optical Data Storage Media And Methods For Using The Same General Electric Company (US) 2012-06-20 EP disclosed
US-20120147724-A1 OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2012-06-14 US disclosed
EP-2423917-A2 Use of chemically bonded dyes in holographic data storage media General Electric Company (US) 2012-02-29 EP disclosed
US-20110053055-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US disclosed
EP-2290408-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
EP-2290650-A1 Optical data storage media and methods for using the same General Electric Company (US) 2011-03-02 EP disclosed
EP-2290651-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed