SCHEMBL7645902

SCHEMBL7645902

CCCCC(CC)COc1cc(Br)c(OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
TAAR1 Q96RJ0 3/20 0.42
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2053675 0.94 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL2764142 0.88 TDP1 (0.37) HTR2ATAAR1ALDH1A1CA2MAPK1
SCHEMBL680571 0.88 TDP1 (0.37) HTR2ATAAR1ALDH1A1CA2MAPK1
SCHEMBL28083440 0.87 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL12440884 0.87 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL13429774 0.85 CYP3A4 (0.37) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL12514871 0.85 CYP3A4 (0.41) HTR2ATAAR1CYP3A4L3MBTL1ALDH1A1
SCHEMBL10375177 0.84 CYP3A4 (0.43) CYP3A4L3MBTL1ALDH1A1CA2MAPK1
SCHEMBL13429611 0.84 ALDH1A1 (0.34) HTR2ACYP3A4L3MBTL1ALDH1A1CA2
SCHEMBL13429504 0.83 ALDH1A1 (0.38) CYP3A4L3MBTL1ALDH1A1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275782-A1 Quantum Dots Tailored with Electronically-Active Polymers NATIONAL SCIENCE FOUNDATION 2009-11-05 US disclosed
US-7589240-B2 Quantum dots tailored with electronically-active polymers UNIVERSITY OF MASSACHUSETTS (US) 2009-09-15 US disclosed
US-6338909-B1 UNSATURATED AROMATIC LIGHT EMITTERS FOR DYE DEVELOPMENT SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 2002-01-15 US disclosed
US-6337150-B1 LUMINOUS EFFICIENCY OF THE DISPLAY DEVICE SAMSUNG DISPLAY DEVICES CO., LTD. (KR) 2002-01-08 US disclosed