SCHEMBL17449658

SCHEMBL17449658

CCCCCCc1cc(Br)sc1CCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
TYR P14679 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 5/20 0.37
LIPG Q9Y5X9 1/20 0.36
PTGS2 P35354 5/20 0.35
LTB4R Q15722 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10573937 0.93 ALOX5 (0.37) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL7995347 0.87 TYR (0.36) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL13950681 0.87 ALOX5 (0.38) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL13950684 0.82 ALOX5 (0.34) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2308334 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL197683 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL196435 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL4388195 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL2363742 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4
SCHEMBL4584517 0.81 ALOX5 (0.41) ALOX5TYRMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160017103-A1 CNT-POLYMER COMPLEX CAPABLE OF SELF-DOPING BY EXTERNAL STIMULI AND PROCESS FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-01-21 US disclosed