SCHEMBL699516

SCHEMBL699516

Brc1cccc(C=Cc2ccccc2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD11B1 P28845 2/20 0.44
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.42
MTOR P42345 1/20 0.42
SLC6A19 Q695T7 1/20 0.41
BACE1 P56817 1/20 0.41
NFE2L2 Q16236 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL8902434 1.00 HSD17B3 (0.50) HSD17B3ALDH1A1HSD11B1MAPTNPC1
SCHEMBL699515 1.00 HSD17B3 (0.50) HSD17B3ALDH1A1HSD11B1MAPTNPC1
SCHEMBL6520699 0.84 NPC1 (0.59) HSD17B3ALDH1A1MAPTNPC1MTOR
SCHEMBL709614 0.83 HSD17B3 (0.65) HSD17B3ALDH1A1HSD11B1MAPTSLC6A19
SCHEMBL699462 0.83 HSD17B3 (0.65) HSD17B3ALDH1A1HSD11B1MAPTSLC6A19
SCHEMBL8900441 0.83 HSD17B3 (0.65) HSD17B3ALDH1A1HSD11B1MAPTSLC6A19
SCHEMBL28703246 0.83 NR1H3 (0.54) ALDH1A1HSD11B1MAPTNPC1MTOR
SCHEMBL2096039 0.82 ALDH1A1 (0.50) HSD17B3ALDH1A1HSD11B1MAPTSLC6A19
SCHEMBL699998 0.81 HSD17B3 (0.59) HSD17B3ALDH1A1MAPTBACE1NFE2L2
SCHEMBL699999 0.81 HSD17B3 (0.59) HSD17B3ALDH1A1MAPTBACE1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703388-B2 Optical data storage media GENERAL ELECTRIC COMPANY (US) 2014-04-22 US disclosed
US-8507153-B2 Compositions, optical data storage media and methods for using the optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-08-13 US disclosed
EP-2423917-B1 Use of chemically bonded dyes in holographic data storage media GEN ELECTRIC (US) 2013-08-07 EP disclosed
US-8343608-B2 Use of appended dyes in optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-01-01 US 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
US-20120163145-A1 OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-06-28 US disclosed
US-20120052232-A1 USE OF APPENDED DYES IN OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-03-01 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-8124299-B2 Methods for using optical data storage media GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110053054-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US 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-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
US-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 US disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed