SCHEMBL8213796

SCHEMBL8213796

CCCCCc1cc(CBr)c(CBr)cc1CCCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
TYR P14679 3/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 6/20 0.40
HTR2A P28223 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
TLR8 Q9NR97 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
SCHEMBL1029110 0.98 ALOX5 (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL9786790 0.98 ALOX5 (0.46) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL18889039 0.87 ALOX5 (0.50) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL19000284 0.80 ALOX5 (0.39) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL15437715 0.80 ALOX5 (0.50) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL11682168 0.79 TYR (0.50) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL19000281 0.79 ALOX5 (0.38) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL7138144 0.78 RXRA (0.42) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL28468210 0.78 ALOX5 (0.44) ALOX5TYRCYP3A4MEN1TP53
SCHEMBL4459351 0.77 LIPG (0.55) ALOX5PTGS2LIPGTLR8

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-6153322-A Methods for making fluorinated surface modifying agents, methods of using same and products made using same HOUSTON, UNIVERSITY OF 2000-11-28 US disclosed