SCHEMBL13620057

SCHEMBL13620057

C=Cc1ccc(Br)c(OCCCCCCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
TRPA1 O75762 1/20 0.38
SMPD1 P17405 4/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
S1PR3 Q99500 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN11 Q06124 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL12252359 0.88 PRKCE (0.46) THRATHRBSMPD1ALDH1A1SMN1; SMN2
SCHEMBL3761372 0.86 ALDH1A1 (0.43) THRBTRPA1SMPD1ALDH1A1SMN1; SMN2
SCHEMBL15899460 0.83 TLR8 (0.40) THRBTRPA1MEN1KMT2AALDH1A1
SCHEMBL1967921 0.83 TLR8 (0.40) THRBTRPA1MEN1KMT2AALDH1A1
SCHEMBL15899585 0.83 TLR8 (0.40) THRBTRPA1MEN1KMT2AALDH1A1
SCHEMBL16957857 0.82 ALDH1A1 (0.44) TRPA1MEN1KMT2AALDH1A1POLB
SCHEMBL8664905 0.82 FDPS (0.54) THRATHRBTRPA1SMPD1ALDH1A1
SCHEMBL685626 0.82 TRPA1 (0.57) TRPA1SMPD1MEN1KMT2AALDH1A1
SCHEMBL10153769 0.81 PRKCE (0.42) THRATHRBALDH1A1SMN1; SMN2PRKCE
SCHEMBL685917 0.80 TRPA1 (0.58) TRPA1SMPD1MEN1KMT2AALDH1A1

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 2 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